USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 679 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 78 SER OG : rot -19:sc= 0.00304 USER MOD Set 1.2: A 109 THR OG1 : rot 39:sc= 0.022 USER MOD Set 2.1: A 94 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 100 THR OG1 : rot 170:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.0209 X(o=-0.021,f=-0.13) USER MOD Single : A 7 LYS NZ :NH3+ 131:sc= 0.462 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0.272 K(o=0.27,f=-4.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0712 K(o=-0.071,f=-2.4!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 106:sc= 0.523 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 170:sc= 0.216 (180deg=0.135) USER MOD Single : A 85 SER OG : rot -4:sc= -0.248 USER MOD Single : A 87 ASN : amide:sc= -0.776 X(o=-0.78,f=-0.65) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.751 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 ASN :FLIP amide:sc= 0 F(o=-0.77,f=0) USER MOD Single : A 116 TYR OH : rot 29:sc= 0.821 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 ASN : amide:sc= -0.383 K(o=-0.38,f=-4.3!) USER MOD Single : A 126 ASN :FLIP amide:sc= -0.985 F(o=-1.9!,f=-0.98) USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 34 N ALA A 3 -85.460 -58.184 144.672 1.00 62.04 N ATOM 35 CA ALA A 3 -84.796 -59.375 144.177 1.00 12.40 C ATOM 36 C ALA A 3 -83.288 -59.170 144.139 1.00 52.34 C ATOM 37 O ALA A 3 -82.805 -58.039 144.207 1.00 14.01 O ATOM 38 CB ALA A 3 -85.319 -59.728 142.790 1.00 35.44 C ATOM 0 HA ALA A 3 -85.012 -60.201 144.855 1.00 12.40 H new ATOM 0 HB1 ALA A 3 -84.814 -60.623 142.428 1.00 35.44 H new ATOM 0 HB2 ALA A 3 -86.392 -59.912 142.842 1.00 35.44 H new ATOM 0 HB3 ALA A 3 -85.126 -58.901 142.107 1.00 35.44 H new ATOM 44 N ARG A 4 -82.557 -60.275 144.045 1.00 20.22 N ATOM 45 CA ARG A 4 -81.102 -60.253 143.877 1.00 64.13 C ATOM 46 C ARG A 4 -80.799 -60.625 142.424 1.00 30.03 C ATOM 47 O ARG A 4 -79.896 -61.416 142.131 1.00 14.10 O ATOM 48 CB ARG A 4 -80.398 -61.250 144.832 1.00 64.12 C ATOM 49 CG ARG A 4 -80.494 -60.953 146.342 1.00 23.30 C ATOM 50 CD ARG A 4 -81.855 -61.309 146.940 1.00 52.23 C ATOM 51 NE ARG A 4 -82.335 -62.621 146.482 1.00 54.30 N ATOM 52 CZ ARG A 4 -83.605 -62.895 146.144 1.00 60.24 C ATOM 53 NH1 ARG A 4 -84.575 -62.013 146.381 1.00 4.03 N ATOM 54 NH2 ARG A 4 -83.893 -64.065 145.592 1.00 51.04 N ATOM 0 H ARG A 4 -82.953 -61.214 144.083 1.00 20.22 H new ATOM 0 HA ARG A 4 -80.726 -59.259 144.118 1.00 64.13 H new ATOM 0 HB2 ARG A 4 -80.814 -62.242 144.654 1.00 64.12 H new ATOM 0 HB3 ARG A 4 -79.343 -61.293 144.561 1.00 64.12 H new ATOM 0 HG2 ARG A 4 -79.717 -61.510 146.866 1.00 23.30 H new ATOM 0 HG3 ARG A 4 -80.296 -59.895 146.511 1.00 23.30 H new ATOM 0 HD2 ARG A 4 -81.784 -61.309 148.028 1.00 52.23 H new ATOM 0 HD3 ARG A 4 -82.581 -60.543 146.668 1.00 52.23 H new ATOM 0 HE ARG A 4 -81.654 -63.378 146.416 1.00 54.30 H new ATOM 0 HH11 ARG A 4 -84.356 -61.120 146.823 1.00 4.03 H new ATOM 0 HH12 ARG A 4 -85.537 -62.230 146.120 1.00 4.03 H new ATOM 0 HH21 ARG A 4 -83.153 -64.747 145.428 1.00 51.04 H new ATOM 0 HH22 ARG A 4 -84.855 -64.283 145.332 1.00 51.04 H new ATOM 68 N ASP A 5 -81.564 -60.018 141.526 1.00 62.05 N ATOM 69 CA ASP A 5 -81.640 -60.427 140.124 1.00 73.33 C ATOM 70 C ASP A 5 -80.607 -59.697 139.267 1.00 73.32 C ATOM 71 O ASP A 5 -80.661 -58.475 139.106 1.00 75.11 O ATOM 72 CB ASP A 5 -83.066 -60.176 139.601 1.00 72.15 C ATOM 73 CG ASP A 5 -83.249 -60.474 138.118 1.00 11.30 C ATOM 74 OD1 ASP A 5 -83.298 -61.663 137.738 1.00 14.34 O ATOM 75 OD2 ASP A 5 -83.363 -59.520 137.333 1.00 65.13 O ATOM 0 H ASP A 5 -82.157 -59.219 141.750 1.00 62.05 H new ATOM 0 HA ASP A 5 -81.411 -61.491 140.057 1.00 73.33 H new ATOM 0 HB2 ASP A 5 -83.763 -60.789 140.172 1.00 72.15 H new ATOM 0 HB3 ASP A 5 -83.331 -59.135 139.786 1.00 72.15 H new ATOM 80 N ASN A 6 -79.663 -60.469 138.744 1.00 52.53 N ATOM 81 CA ASN A 6 -78.645 -59.966 137.834 1.00 4.25 C ATOM 82 C ASN A 6 -78.177 -61.090 136.898 1.00 2.32 C ATOM 83 O ASN A 6 -77.285 -61.882 137.219 1.00 74.05 O ATOM 84 CB ASN A 6 -77.465 -59.297 138.596 1.00 71.52 C ATOM 85 CG ASN A 6 -76.836 -60.153 139.702 1.00 73.14 C ATOM 86 OD1 ASN A 6 -75.866 -60.867 139.473 1.00 60.11 O ATOM 87 ND2 ASN A 6 -77.352 -60.044 140.916 1.00 65.42 N ATOM 0 H ASN A 6 -79.583 -61.467 138.941 1.00 52.53 H new ATOM 0 HA ASN A 6 -79.086 -59.180 137.221 1.00 4.25 H new ATOM 0 HB2 ASN A 6 -76.690 -59.035 137.876 1.00 71.52 H new ATOM 0 HB3 ASN A 6 -77.819 -58.365 139.036 1.00 71.52 H new ATOM 0 HD21 ASN A 6 -76.942 -60.562 141.693 1.00 65.42 H new ATOM 0 HD22 ASN A 6 -78.160 -59.442 141.075 1.00 65.42 H new ATOM 94 N LYS A 7 -78.832 -61.199 135.752 1.00 2.23 N ATOM 95 CA LYS A 7 -78.448 -62.197 134.759 1.00 2.43 C ATOM 96 C LYS A 7 -77.964 -61.512 133.488 1.00 13.53 C ATOM 97 O LYS A 7 -78.573 -60.546 133.006 1.00 4.24 O ATOM 98 CB LYS A 7 -79.574 -63.228 134.465 1.00 21.32 C ATOM 99 CG LYS A 7 -80.817 -62.725 133.716 1.00 75.31 C ATOM 100 CD LYS A 7 -81.790 -61.974 134.613 1.00 20.41 C ATOM 101 CE LYS A 7 -83.056 -61.599 133.864 1.00 1.35 C ATOM 102 NZ LYS A 7 -83.949 -60.738 134.680 1.00 21.43 N ATOM 0 H LYS A 7 -79.625 -60.616 135.486 1.00 2.23 H new ATOM 0 HA LYS A 7 -77.626 -62.775 135.181 1.00 2.43 H new ATOM 0 HB2 LYS A 7 -79.140 -64.044 133.887 1.00 21.32 H new ATOM 0 HB3 LYS A 7 -79.901 -63.649 135.416 1.00 21.32 H new ATOM 0 HG2 LYS A 7 -80.504 -62.071 132.902 1.00 75.31 H new ATOM 0 HG3 LYS A 7 -81.330 -63.574 133.264 1.00 75.31 H new ATOM 0 HD2 LYS A 7 -82.044 -62.592 135.474 1.00 20.41 H new ATOM 0 HD3 LYS A 7 -81.312 -61.073 134.997 1.00 20.41 H new ATOM 0 HE2 LYS A 7 -82.792 -61.078 132.943 1.00 1.35 H new ATOM 0 HE3 LYS A 7 -83.589 -62.505 133.576 1.00 1.35 H new ATOM 0 HZ1 LYS A 7 -84.244 -59.913 134.119 1.00 21.43 H new ATOM 0 HZ2 LYS A 7 -84.789 -61.281 134.965 1.00 21.43 H new ATOM 0 HZ3 LYS A 7 -83.441 -60.416 135.528 1.00 21.43 H new ATOM 116 N PHE A 8 -76.845 -61.995 132.971 1.00 40.02 N ATOM 117 CA PHE A 8 -76.210 -61.377 131.828 1.00 22.12 C ATOM 118 C PHE A 8 -76.137 -62.327 130.642 1.00 12.10 C ATOM 119 O PHE A 8 -75.804 -63.510 130.779 1.00 4.44 O ATOM 120 CB PHE A 8 -74.808 -60.823 132.188 1.00 32.32 C ATOM 121 CG PHE A 8 -73.824 -61.811 132.790 1.00 62.43 C ATOM 122 CD1 PHE A 8 -73.790 -62.034 134.158 1.00 10.31 C ATOM 123 CD2 PHE A 8 -72.921 -62.499 131.987 1.00 53.15 C ATOM 124 CE1 PHE A 8 -72.887 -62.923 134.711 1.00 60.45 C ATOM 125 CE2 PHE A 8 -72.016 -63.386 132.538 1.00 31.50 C ATOM 126 CZ PHE A 8 -72.001 -63.598 133.902 1.00 42.31 C ATOM 0 H PHE A 8 -76.360 -62.817 133.330 1.00 40.02 H new ATOM 0 HA PHE A 8 -76.834 -60.533 131.533 1.00 22.12 H new ATOM 0 HB2 PHE A 8 -74.363 -60.406 131.284 1.00 32.32 H new ATOM 0 HB3 PHE A 8 -74.936 -59.999 132.890 1.00 32.32 H new ATOM 0 HD1 PHE A 8 -74.479 -61.506 134.801 1.00 10.31 H new ATOM 0 HD2 PHE A 8 -72.927 -62.338 130.919 1.00 53.15 H new ATOM 0 HE1 PHE A 8 -72.877 -63.088 135.778 1.00 60.45 H new ATOM 0 HE2 PHE A 8 -71.321 -63.913 131.902 1.00 31.50 H new ATOM 0 HZ PHE A 8 -71.295 -64.292 134.334 1.00 42.31 H new ATOM 136 N ASN A 9 -76.504 -61.799 129.489 1.00 3.52 N ATOM 137 CA ASN A 9 -76.266 -62.458 128.221 1.00 64.41 C ATOM 138 C ASN A 9 -75.831 -61.408 127.213 1.00 34.21 C ATOM 139 O ASN A 9 -76.474 -60.363 127.059 1.00 70.43 O ATOM 140 CB ASN A 9 -77.501 -63.267 127.739 1.00 44.22 C ATOM 141 CG ASN A 9 -78.753 -62.446 127.458 1.00 53.41 C ATOM 142 OD1 ASN A 9 -79.552 -62.180 128.351 1.00 24.53 O ATOM 143 ND2 ASN A 9 -78.962 -62.088 126.196 1.00 13.30 N ATOM 0 H ASN A 9 -76.977 -60.899 129.407 1.00 3.52 H new ATOM 0 HA ASN A 9 -75.472 -63.196 128.337 1.00 64.41 H new ATOM 0 HB2 ASN A 9 -77.229 -63.805 126.831 1.00 44.22 H new ATOM 0 HB3 ASN A 9 -77.740 -64.016 128.494 1.00 44.22 H new ATOM 0 HD21 ASN A 9 -79.807 -61.576 125.945 1.00 13.30 H new ATOM 0 HD22 ASN A 9 -78.277 -62.325 125.478 1.00 13.30 H new ATOM 150 N THR A 10 -74.705 -61.651 126.574 1.00 51.34 N ATOM 151 CA THR A 10 -74.188 -60.724 125.587 1.00 31.41 C ATOM 152 C THR A 10 -74.272 -61.327 124.188 1.00 75.32 C ATOM 153 O THR A 10 -74.716 -60.650 123.257 1.00 72.12 O ATOM 154 CB THR A 10 -72.737 -60.243 125.925 1.00 41.45 C ATOM 155 OG1 THR A 10 -72.224 -59.415 124.874 1.00 1.53 O ATOM 156 CG2 THR A 10 -71.764 -61.397 126.180 1.00 15.01 C ATOM 0 H THR A 10 -74.131 -62.481 126.720 1.00 51.34 H new ATOM 0 HA THR A 10 -74.818 -59.835 125.612 1.00 31.41 H new ATOM 0 HB THR A 10 -72.816 -59.672 126.850 1.00 41.45 H new ATOM 0 HG1 THR A 10 -71.317 -59.122 125.102 1.00 1.53 H new ATOM 0 HG21 THR A 10 -70.776 -60.996 126.409 1.00 15.01 H new ATOM 0 HG22 THR A 10 -72.118 -61.992 127.022 1.00 15.01 H new ATOM 0 HG23 THR A 10 -71.704 -62.025 125.291 1.00 15.01 H new ATOM 164 N TRP A 11 -73.894 -62.618 124.086 1.00 73.13 N ATOM 165 CA TRP A 11 -73.798 -63.363 122.824 1.00 55.04 C ATOM 166 C TRP A 11 -73.037 -62.576 121.764 1.00 22.15 C ATOM 167 O TRP A 11 -73.576 -62.208 120.714 1.00 33.25 O ATOM 168 CB TRP A 11 -75.184 -63.813 122.336 1.00 15.31 C ATOM 169 CG TRP A 11 -75.872 -64.715 123.316 1.00 45.11 C ATOM 170 CD1 TRP A 11 -76.998 -64.433 124.034 1.00 71.02 C ATOM 171 CD2 TRP A 11 -75.461 -66.033 123.714 1.00 42.31 C ATOM 172 NE1 TRP A 11 -77.320 -65.496 124.840 1.00 23.02 N ATOM 173 CE2 TRP A 11 -76.393 -66.488 124.665 1.00 21.23 C ATOM 174 CE3 TRP A 11 -74.402 -66.872 123.356 1.00 40.31 C ATOM 175 CZ2 TRP A 11 -76.296 -67.742 125.262 1.00 44.43 C ATOM 176 CZ3 TRP A 11 -74.307 -68.115 123.949 1.00 34.45 C ATOM 177 CH2 TRP A 11 -75.249 -68.541 124.893 1.00 25.51 C ATOM 0 H TRP A 11 -73.643 -63.179 124.900 1.00 73.13 H new ATOM 0 HA TRP A 11 -73.219 -64.267 123.014 1.00 55.04 H new ATOM 0 HB2 TRP A 11 -75.805 -62.935 122.157 1.00 15.31 H new ATOM 0 HB3 TRP A 11 -75.080 -64.330 121.382 1.00 15.31 H new ATOM 0 HD1 TRP A 11 -77.554 -63.509 123.976 1.00 71.02 H new ATOM 0 HE1 TRP A 11 -78.122 -65.540 125.469 1.00 23.02 H new ATOM 0 HE3 TRP A 11 -73.671 -66.553 122.628 1.00 40.31 H new ATOM 0 HZ2 TRP A 11 -77.022 -68.072 125.991 1.00 44.43 H new ATOM 0 HZ3 TRP A 11 -73.492 -68.770 123.680 1.00 34.45 H new ATOM 0 HH2 TRP A 11 -75.147 -69.520 125.339 1.00 25.51 H new ATOM 188 N ASN A 12 -71.777 -62.294 122.088 1.00 10.13 N ATOM 189 CA ASN A 12 -70.915 -61.489 121.238 1.00 2.20 C ATOM 190 C ASN A 12 -70.393 -62.307 120.055 1.00 54.14 C ATOM 191 O ASN A 12 -69.385 -63.015 120.130 1.00 10.13 O ATOM 192 CB ASN A 12 -69.773 -60.811 122.045 1.00 70.10 C ATOM 193 CG ASN A 12 -68.878 -61.742 122.876 1.00 63.50 C ATOM 194 OD1 ASN A 12 -69.298 -62.784 123.380 1.00 33.44 O ATOM 195 ND2 ASN A 12 -67.624 -61.346 123.038 1.00 24.10 N ATOM 0 H ASN A 12 -71.330 -62.618 122.945 1.00 10.13 H new ATOM 0 HA ASN A 12 -71.516 -60.678 120.827 1.00 2.20 H new ATOM 0 HB2 ASN A 12 -69.140 -60.263 121.347 1.00 70.10 H new ATOM 0 HB3 ASN A 12 -70.218 -60.077 122.716 1.00 70.10 H new ATOM 0 HD21 ASN A 12 -66.979 -61.909 123.592 1.00 24.10 H new ATOM 0 HD22 ASN A 12 -67.304 -60.478 122.609 1.00 24.10 H new ATOM 202 N ASP A 13 -71.141 -62.219 118.967 1.00 41.31 N ATOM 203 CA ASP A 13 -70.858 -62.966 117.761 1.00 24.01 C ATOM 204 C ASP A 13 -70.359 -62.005 116.689 1.00 12.21 C ATOM 205 O ASP A 13 -71.137 -61.438 115.917 1.00 65.22 O ATOM 206 CB ASP A 13 -72.120 -63.720 117.318 1.00 3.14 C ATOM 207 CG ASP A 13 -71.903 -64.603 116.101 1.00 61.33 C ATOM 208 OD1 ASP A 13 -71.246 -65.654 116.236 1.00 61.31 O ATOM 209 OD2 ASP A 13 -72.392 -64.253 115.009 1.00 3.24 O ATOM 0 H ASP A 13 -71.966 -61.623 118.900 1.00 41.31 H new ATOM 0 HA ASP A 13 -70.079 -63.707 117.940 1.00 24.01 H new ATOM 0 HB2 ASP A 13 -72.475 -64.335 118.145 1.00 3.14 H new ATOM 0 HB3 ASP A 13 -72.906 -62.998 117.098 1.00 3.14 H new ATOM 214 N SER A 14 -69.062 -61.759 116.715 1.00 73.22 N ATOM 215 CA SER A 14 -68.446 -60.826 115.798 1.00 22.21 C ATOM 216 C SER A 14 -67.694 -61.582 114.709 1.00 33.15 C ATOM 217 O SER A 14 -66.534 -61.969 114.881 1.00 52.35 O ATOM 218 CB SER A 14 -67.514 -59.880 116.561 1.00 32.32 C ATOM 219 OG SER A 14 -68.205 -59.236 117.627 1.00 14.14 O ATOM 0 H SER A 14 -68.413 -62.198 117.368 1.00 73.22 H new ATOM 0 HA SER A 14 -69.220 -60.226 115.319 1.00 22.21 H new ATOM 0 HB2 SER A 14 -66.666 -60.439 116.957 1.00 32.32 H new ATOM 0 HB3 SER A 14 -67.111 -59.131 115.879 1.00 32.32 H new ATOM 0 HG SER A 14 -67.590 -58.638 118.101 1.00 14.14 H new ATOM 225 N ARG A 15 -68.388 -61.838 113.608 1.00 74.35 N ATOM 226 CA ARG A 15 -67.803 -62.556 112.487 1.00 3.43 C ATOM 227 C ARG A 15 -67.516 -61.610 111.328 1.00 61.12 C ATOM 228 O ARG A 15 -68.222 -60.616 111.138 1.00 55.22 O ATOM 229 CB ARG A 15 -68.708 -63.716 112.045 1.00 4.33 C ATOM 230 CG ARG A 15 -70.137 -63.326 111.681 1.00 42.22 C ATOM 231 CD ARG A 15 -70.990 -64.557 111.394 1.00 64.30 C ATOM 232 NE ARG A 15 -71.228 -65.360 112.600 1.00 34.11 N ATOM 233 CZ ARG A 15 -71.149 -66.697 112.673 1.00 23.34 C ATOM 234 NH1 ARG A 15 -70.868 -67.428 111.595 1.00 62.54 N ATOM 235 NH2 ARG A 15 -71.370 -67.297 113.832 1.00 72.53 N ATOM 0 H ARG A 15 -69.359 -61.558 113.469 1.00 74.35 H new ATOM 0 HA ARG A 15 -66.854 -62.981 112.815 1.00 3.43 H new ATOM 0 HB2 ARG A 15 -68.251 -64.203 111.184 1.00 4.33 H new ATOM 0 HB3 ARG A 15 -68.743 -64.453 112.847 1.00 4.33 H new ATOM 0 HG2 ARG A 15 -70.580 -62.756 112.498 1.00 42.22 H new ATOM 0 HG3 ARG A 15 -70.127 -62.675 110.807 1.00 42.22 H new ATOM 0 HD2 ARG A 15 -71.946 -64.245 110.973 1.00 64.30 H new ATOM 0 HD3 ARG A 15 -70.496 -65.172 110.642 1.00 64.30 H new ATOM 0 HE ARG A 15 -71.474 -64.859 113.454 1.00 34.11 H new ATOM 0 HH11 ARG A 15 -70.709 -66.972 110.697 1.00 62.54 H new ATOM 0 HH12 ARG A 15 -70.812 -68.444 111.668 1.00 62.54 H new ATOM 0 HH21 ARG A 15 -71.598 -66.743 114.658 1.00 72.53 H new ATOM 0 HH22 ARG A 15 -71.313 -68.313 113.899 1.00 72.53 H new ATOM 249 N GLY A 16 -66.466 -61.920 110.584 1.00 53.20 N ATOM 250 CA GLY A 16 -66.065 -61.095 109.465 1.00 24.31 C ATOM 251 C GLY A 16 -65.118 -61.818 108.538 1.00 40.24 C ATOM 252 O GLY A 16 -63.983 -62.133 108.909 1.00 40.24 O ATOM 0 H GLY A 16 -65.878 -62.739 110.738 1.00 53.20 H new ATOM 0 HA2 GLY A 16 -66.949 -60.784 108.909 1.00 24.31 H new ATOM 0 HA3 GLY A 16 -65.587 -60.188 109.836 1.00 24.31 H new ATOM 256 N ASN A 17 -65.600 -62.101 107.340 1.00 65.05 N ATOM 257 CA ASN A 17 -64.817 -62.777 106.314 1.00 34.13 C ATOM 258 C ASN A 17 -65.083 -62.136 104.955 1.00 4.02 C ATOM 259 O ASN A 17 -66.207 -62.160 104.453 1.00 20.10 O ATOM 260 CB ASN A 17 -65.081 -64.310 106.291 1.00 13.13 C ATOM 261 CG ASN A 17 -66.534 -64.745 106.059 1.00 73.44 C ATOM 262 OD1 ASN A 17 -67.491 -64.085 106.474 1.00 22.12 O ATOM 263 ND2 ASN A 17 -66.696 -65.874 105.384 1.00 33.14 N ATOM 0 H ASN A 17 -66.549 -61.868 107.048 1.00 65.05 H new ATOM 0 HA ASN A 17 -63.761 -62.656 106.555 1.00 34.13 H new ATOM 0 HB2 ASN A 17 -64.462 -64.752 105.510 1.00 13.13 H new ATOM 0 HB3 ASN A 17 -64.745 -64.729 107.239 1.00 13.13 H new ATOM 0 HD21 ASN A 17 -67.635 -66.223 105.192 1.00 33.14 H new ATOM 0 HD22 ASN A 17 -65.882 -66.393 105.056 1.00 33.14 H new ATOM 270 N TYR A 18 -64.053 -61.509 104.393 1.00 10.01 N ATOM 271 CA TYR A 18 -64.187 -60.787 103.127 1.00 21.22 C ATOM 272 C TYR A 18 -62.837 -60.684 102.417 1.00 42.31 C ATOM 273 O TYR A 18 -61.788 -60.697 103.065 1.00 52.12 O ATOM 274 CB TYR A 18 -64.792 -59.380 103.350 1.00 75.12 C ATOM 275 CG TYR A 18 -63.974 -58.459 104.243 1.00 35.44 C ATOM 276 CD1 TYR A 18 -64.177 -58.422 105.614 1.00 23.23 C ATOM 277 CD2 TYR A 18 -63.007 -57.619 103.701 1.00 64.33 C ATOM 278 CE1 TYR A 18 -63.439 -57.578 106.422 1.00 33.34 C ATOM 279 CE2 TYR A 18 -62.265 -56.771 104.500 1.00 64.12 C ATOM 280 CZ TYR A 18 -62.484 -56.753 105.860 1.00 61.30 C ATOM 281 OH TYR A 18 -61.748 -55.910 106.662 1.00 74.41 O ATOM 0 H TYR A 18 -63.115 -61.485 104.793 1.00 10.01 H new ATOM 0 HA TYR A 18 -64.869 -61.351 102.491 1.00 21.22 H new ATOM 0 HB2 TYR A 18 -64.921 -58.899 102.380 1.00 75.12 H new ATOM 0 HB3 TYR A 18 -65.785 -59.493 103.784 1.00 75.12 H new ATOM 0 HD1 TYR A 18 -64.924 -59.063 106.058 1.00 23.23 H new ATOM 0 HD2 TYR A 18 -62.833 -57.630 102.635 1.00 64.33 H new ATOM 0 HE1 TYR A 18 -63.608 -57.563 107.489 1.00 33.34 H new ATOM 0 HE2 TYR A 18 -61.518 -56.126 104.061 1.00 64.12 H new ATOM 0 HH TYR A 18 -61.120 -55.399 106.110 1.00 74.41 H new ATOM 291 N TRP A 19 -62.875 -60.581 101.089 1.00 64.00 N ATOM 292 CA TRP A 19 -61.668 -60.418 100.270 1.00 74.50 C ATOM 293 C TRP A 19 -62.017 -59.792 98.922 1.00 65.04 C ATOM 294 O TRP A 19 -63.179 -59.819 98.498 1.00 73.32 O ATOM 295 CB TRP A 19 -60.900 -61.747 100.088 1.00 42.42 C ATOM 296 CG TRP A 19 -61.713 -62.923 99.614 1.00 1.02 C ATOM 297 CD1 TRP A 19 -62.641 -63.619 100.331 1.00 1.33 C ATOM 298 CD2 TRP A 19 -61.623 -63.569 98.341 1.00 64.33 C ATOM 299 NE1 TRP A 19 -63.151 -64.646 99.576 1.00 71.22 N ATOM 300 CE2 TRP A 19 -62.540 -64.640 98.351 1.00 74.45 C ATOM 301 CE3 TRP A 19 -60.862 -63.343 97.192 1.00 50.42 C ATOM 302 CZ2 TRP A 19 -62.712 -65.480 97.255 1.00 42.25 C ATOM 303 CZ3 TRP A 19 -61.034 -64.178 96.109 1.00 11.53 C ATOM 304 CH2 TRP A 19 -61.951 -65.236 96.146 1.00 64.13 C ATOM 0 H TRP A 19 -63.740 -60.608 100.549 1.00 64.00 H new ATOM 0 HA TRP A 19 -61.000 -59.742 100.804 1.00 74.50 H new ATOM 0 HB2 TRP A 19 -60.091 -61.581 99.377 1.00 42.42 H new ATOM 0 HB3 TRP A 19 -60.439 -62.010 101.040 1.00 42.42 H new ATOM 0 HD1 TRP A 19 -62.933 -63.395 101.346 1.00 1.33 H new ATOM 0 HE1 TRP A 19 -63.868 -65.306 99.878 1.00 71.22 H new ATOM 0 HE3 TRP A 19 -60.152 -62.530 97.153 1.00 50.42 H new ATOM 0 HZ2 TRP A 19 -63.421 -66.295 97.280 1.00 42.25 H new ATOM 0 HZ3 TRP A 19 -60.451 -64.013 95.215 1.00 11.53 H new ATOM 0 HH2 TRP A 19 -62.059 -65.872 95.280 1.00 64.13 H new ATOM 315 N SER A 20 -61.012 -59.230 98.256 1.00 33.53 N ATOM 316 CA SER A 20 -61.239 -58.436 97.060 1.00 4.55 C ATOM 317 C SER A 20 -60.226 -58.767 95.968 1.00 34.34 C ATOM 318 O SER A 20 -59.044 -58.987 96.249 1.00 43.42 O ATOM 319 CB SER A 20 -61.159 -56.947 97.420 1.00 1.15 C ATOM 320 OG SER A 20 -61.658 -56.127 96.374 1.00 33.43 O ATOM 0 H SER A 20 -60.032 -59.312 98.528 1.00 33.53 H new ATOM 0 HA SER A 20 -62.230 -58.672 96.672 1.00 4.55 H new ATOM 0 HB2 SER A 20 -61.728 -56.762 98.331 1.00 1.15 H new ATOM 0 HB3 SER A 20 -60.124 -56.679 97.631 1.00 1.15 H new ATOM 0 HG SER A 20 -61.594 -55.185 96.638 1.00 33.43 H new ATOM 326 N ASP A 21 -60.709 -58.804 94.729 1.00 20.23 N ATOM 327 CA ASP A 21 -59.850 -58.935 93.556 1.00 73.53 C ATOM 328 C ASP A 21 -60.062 -57.695 92.671 1.00 21.51 C ATOM 329 O ASP A 21 -60.902 -56.847 92.994 1.00 5.03 O ATOM 330 CB ASP A 21 -60.174 -60.236 92.794 1.00 13.52 C ATOM 331 CG ASP A 21 -58.981 -60.801 92.035 1.00 73.33 C ATOM 332 OD1 ASP A 21 -58.218 -61.593 92.622 1.00 61.35 O ATOM 333 OD2 ASP A 21 -58.799 -60.463 90.849 1.00 1.14 O ATOM 0 H ASP A 21 -61.703 -58.744 94.510 1.00 20.23 H new ATOM 0 HA ASP A 21 -58.803 -58.993 93.853 1.00 73.53 H new ATOM 0 HB2 ASP A 21 -60.533 -60.984 93.501 1.00 13.52 H new ATOM 0 HB3 ASP A 21 -60.986 -60.045 92.092 1.00 13.52 H new ATOM 338 N TYR A 22 -59.321 -57.580 91.570 1.00 53.22 N ATOM 339 CA TYR A 22 -59.354 -56.362 90.753 1.00 13.30 C ATOM 340 C TYR A 22 -59.698 -56.654 89.296 1.00 63.12 C ATOM 341 O TYR A 22 -58.892 -57.216 88.546 1.00 45.03 O ATOM 342 CB TYR A 22 -58.024 -55.605 90.843 1.00 61.21 C ATOM 343 CG TYR A 22 -57.738 -55.065 92.223 1.00 23.54 C ATOM 344 CD1 TYR A 22 -58.467 -54.003 92.736 1.00 43.14 C ATOM 345 CD2 TYR A 22 -56.751 -55.631 93.019 1.00 74.44 C ATOM 346 CE1 TYR A 22 -58.225 -53.518 94.003 1.00 2.11 C ATOM 347 CE2 TYR A 22 -56.500 -55.149 94.288 1.00 50.01 C ATOM 348 CZ TYR A 22 -57.241 -54.092 94.778 1.00 60.52 C ATOM 349 OH TYR A 22 -57.001 -53.609 96.042 1.00 32.44 O ATOM 0 H TYR A 22 -58.695 -58.307 91.223 1.00 53.22 H new ATOM 0 HA TYR A 22 -60.146 -55.733 91.158 1.00 13.30 H new ATOM 0 HB2 TYR A 22 -57.214 -56.271 90.546 1.00 61.21 H new ATOM 0 HB3 TYR A 22 -58.035 -54.779 90.132 1.00 61.21 H new ATOM 0 HD1 TYR A 22 -59.238 -53.548 92.132 1.00 43.14 H new ATOM 0 HD2 TYR A 22 -56.172 -56.460 92.640 1.00 74.44 H new ATOM 0 HE1 TYR A 22 -58.804 -52.691 94.387 1.00 2.11 H new ATOM 0 HE2 TYR A 22 -55.727 -55.597 94.895 1.00 50.01 H new ATOM 0 HH TYR A 22 -56.277 -54.123 96.457 1.00 32.44 H new ATOM 848 N PRO A 59 -21.371 -1.507 14.599 1.00 65.02 N ATOM 849 CA PRO A 59 -20.276 -2.223 13.942 1.00 14.24 C ATOM 850 C PRO A 59 -18.991 -1.381 13.873 1.00 25.23 C ATOM 851 O PRO A 59 -19.009 -0.178 14.157 1.00 72.24 O ATOM 852 CB PRO A 59 -20.832 -2.510 12.547 1.00 61.01 C ATOM 853 CG PRO A 59 -21.863 -1.454 12.287 1.00 52.03 C ATOM 854 CD PRO A 59 -22.298 -0.897 13.621 1.00 4.10 C ATOM 0 HA PRO A 59 -19.983 -3.124 14.482 1.00 14.24 H new ATOM 0 HB2 PRO A 59 -20.041 -2.476 11.797 1.00 61.01 H new ATOM 0 HB3 PRO A 59 -21.273 -3.506 12.500 1.00 61.01 H new ATOM 0 HG2 PRO A 59 -21.451 -0.664 11.659 1.00 52.03 H new ATOM 0 HG3 PRO A 59 -22.715 -1.875 11.752 1.00 52.03 H new ATOM 0 HD2 PRO A 59 -22.232 0.191 13.637 1.00 4.10 H new ATOM 0 HD3 PRO A 59 -23.334 -1.157 13.841 1.00 4.10 H new ATOM 862 N VAL A 60 -17.878 -2.012 13.502 1.00 63.31 N ATOM 863 CA VAL A 60 -16.585 -1.336 13.498 1.00 64.43 C ATOM 864 C VAL A 60 -15.999 -1.269 12.075 1.00 74.15 C ATOM 865 O VAL A 60 -16.134 -2.201 11.287 1.00 53.20 O ATOM 866 CB VAL A 60 -15.604 -2.005 14.512 1.00 3.54 C ATOM 867 CG1 VAL A 60 -15.243 -3.426 14.100 1.00 12.14 C ATOM 868 CG2 VAL A 60 -14.356 -1.162 14.734 1.00 3.24 C ATOM 0 H VAL A 60 -17.847 -2.986 13.202 1.00 63.31 H new ATOM 0 HA VAL A 60 -16.734 -0.308 13.827 1.00 64.43 H new ATOM 0 HB VAL A 60 -16.131 -2.065 15.464 1.00 3.54 H new ATOM 0 HG11 VAL A 60 -14.559 -3.855 14.832 1.00 12.14 H new ATOM 0 HG12 VAL A 60 -16.148 -4.032 14.051 1.00 12.14 H new ATOM 0 HG13 VAL A 60 -14.763 -3.410 13.121 1.00 12.14 H new ATOM 0 HG21 VAL A 60 -13.700 -1.663 15.446 1.00 3.24 H new ATOM 0 HG22 VAL A 60 -13.832 -1.032 13.787 1.00 3.24 H new ATOM 0 HG23 VAL A 60 -14.641 -0.187 15.128 1.00 3.24 H new ATOM 878 N LEU A 61 -15.415 -0.121 11.747 1.00 40.13 N ATOM 879 CA LEU A 61 -14.825 0.131 10.429 1.00 5.24 C ATOM 880 C LEU A 61 -13.337 -0.277 10.403 1.00 10.24 C ATOM 881 O LEU A 61 -12.725 -0.409 11.468 1.00 12.00 O ATOM 882 CB LEU A 61 -15.025 1.618 9.968 1.00 52.53 C ATOM 883 CG LEU A 61 -14.929 2.802 10.984 1.00 34.50 C ATOM 884 CD1 LEU A 61 -16.201 2.961 11.808 1.00 12.33 C ATOM 885 CD2 LEU A 61 -13.725 2.696 11.901 1.00 3.13 C ATOM 0 H LEU A 61 -15.335 0.668 12.389 1.00 40.13 H new ATOM 0 HA LEU A 61 -15.356 -0.493 9.710 1.00 5.24 H new ATOM 0 HB2 LEU A 61 -14.291 1.810 9.186 1.00 52.53 H new ATOM 0 HB3 LEU A 61 -16.009 1.677 9.503 1.00 52.53 H new ATOM 0 HG LEU A 61 -14.802 3.695 10.372 1.00 34.50 H new ATOM 0 HD11 LEU A 61 -16.085 3.796 12.499 1.00 12.33 H new ATOM 0 HD12 LEU A 61 -17.043 3.154 11.144 1.00 12.33 H new ATOM 0 HD13 LEU A 61 -16.386 2.047 12.372 1.00 12.33 H new ATOM 0 HD21 LEU A 61 -13.712 3.546 12.584 1.00 3.13 H new ATOM 0 HD22 LEU A 61 -13.784 1.771 12.474 1.00 3.13 H new ATOM 0 HD23 LEU A 61 -12.813 2.695 11.305 1.00 3.13 H new ATOM 897 N PRO A 62 -12.729 -0.526 9.211 1.00 64.14 N ATOM 898 CA PRO A 62 -11.324 -0.913 9.129 1.00 31.32 C ATOM 899 C PRO A 62 -10.340 0.242 9.283 1.00 11.13 C ATOM 900 O PRO A 62 -10.702 1.406 9.485 1.00 1.42 O ATOM 901 CB PRO A 62 -11.164 -1.490 7.730 1.00 4.43 C ATOM 902 CG PRO A 62 -12.229 -0.837 6.920 1.00 31.33 C ATOM 903 CD PRO A 62 -13.352 -0.503 7.869 1.00 31.11 C ATOM 0 HA PRO A 62 -11.097 -1.601 9.944 1.00 31.32 H new ATOM 0 HB2 PRO A 62 -10.174 -1.277 7.326 1.00 4.43 H new ATOM 0 HB3 PRO A 62 -11.280 -2.574 7.734 1.00 4.43 H new ATOM 0 HG2 PRO A 62 -11.850 0.064 6.437 1.00 31.33 H new ATOM 0 HG3 PRO A 62 -12.576 -1.502 6.129 1.00 31.33 H new ATOM 0 HD2 PRO A 62 -13.780 0.475 7.648 1.00 31.11 H new ATOM 0 HD3 PRO A 62 -14.162 -1.229 7.796 1.00 31.11 H new ATOM 911 N THR A 63 -9.086 -0.132 9.159 1.00 73.00 N ATOM 912 CA THR A 63 -7.968 0.761 9.213 1.00 3.34 C ATOM 913 C THR A 63 -6.950 0.281 8.185 1.00 21.41 C ATOM 914 O THR A 63 -6.404 -0.816 8.328 1.00 75.43 O ATOM 915 CB THR A 63 -7.329 0.763 10.621 1.00 41.50 C ATOM 916 OG1 THR A 63 -8.282 1.173 11.608 1.00 23.35 O ATOM 917 CG2 THR A 63 -6.136 1.684 10.663 1.00 2.34 C ATOM 0 H THR A 63 -8.815 -1.104 9.013 1.00 73.00 H new ATOM 0 HA THR A 63 -8.294 1.779 8.998 1.00 3.34 H new ATOM 0 HB THR A 63 -7.003 -0.254 10.841 1.00 41.50 H new ATOM 0 HG1 THR A 63 -7.860 1.167 12.493 1.00 23.35 H new ATOM 0 HG21 THR A 63 -5.701 1.671 11.662 1.00 2.34 H new ATOM 0 HG22 THR A 63 -5.393 1.350 9.939 1.00 2.34 H new ATOM 0 HG23 THR A 63 -6.451 2.698 10.418 1.00 2.34 H new ATOM 925 N ALA A 64 -6.742 1.058 7.134 1.00 35.31 N ATOM 926 CA ALA A 64 -5.775 0.694 6.116 1.00 63.20 C ATOM 927 C ALA A 64 -4.363 1.064 6.557 1.00 33.44 C ATOM 928 O ALA A 64 -4.003 2.239 6.611 1.00 2.24 O ATOM 929 CB ALA A 64 -6.123 1.360 4.806 1.00 31.53 C ATOM 0 H ALA A 64 -7.227 1.939 6.966 1.00 35.31 H new ATOM 0 HA ALA A 64 -5.808 -0.386 5.973 1.00 63.20 H new ATOM 0 HB1 ALA A 64 -5.390 1.080 4.049 1.00 31.53 H new ATOM 0 HB2 ALA A 64 -7.115 1.040 4.487 1.00 31.53 H new ATOM 0 HB3 ALA A 64 -6.115 2.442 4.935 1.00 31.53 H new ATOM 935 N ARG A 65 -3.573 0.054 6.891 1.00 71.52 N ATOM 936 CA ARG A 65 -2.219 0.269 7.369 1.00 70.33 C ATOM 937 C ARG A 65 -1.270 -0.674 6.675 1.00 34.31 C ATOM 938 O ARG A 65 -1.577 -1.851 6.488 1.00 72.30 O ATOM 939 CB ARG A 65 -2.114 0.099 8.891 1.00 5.31 C ATOM 940 CG ARG A 65 -2.489 1.349 9.671 1.00 12.45 C ATOM 941 CD ARG A 65 -1.566 2.512 9.329 1.00 73.12 C ATOM 942 NE ARG A 65 -2.007 3.778 9.917 1.00 32.13 N ATOM 943 CZ ARG A 65 -1.926 4.968 9.300 1.00 3.50 C ATOM 944 NH1 ARG A 65 -1.422 5.061 8.069 1.00 41.42 N ATOM 945 NH2 ARG A 65 -2.350 6.060 9.917 1.00 0.45 N ATOM 0 H ARG A 65 -3.850 -0.926 6.839 1.00 71.52 H new ATOM 0 HA ARG A 65 -1.946 1.298 7.134 1.00 70.33 H new ATOM 0 HB2 ARG A 65 -2.761 -0.721 9.202 1.00 5.31 H new ATOM 0 HB3 ARG A 65 -1.093 -0.186 9.147 1.00 5.31 H new ATOM 0 HG2 ARG A 65 -3.520 1.623 9.449 1.00 12.45 H new ATOM 0 HG3 ARG A 65 -2.437 1.143 10.740 1.00 12.45 H new ATOM 0 HD2 ARG A 65 -0.559 2.286 9.679 1.00 73.12 H new ATOM 0 HD3 ARG A 65 -1.511 2.620 8.246 1.00 73.12 H new ATOM 0 HE ARG A 65 -2.402 3.755 10.857 1.00 32.13 H new ATOM 0 HH11 ARG A 65 -1.094 4.224 7.588 1.00 41.42 H new ATOM 0 HH12 ARG A 65 -1.365 5.969 7.609 1.00 41.42 H new ATOM 0 HH21 ARG A 65 -2.737 5.996 10.859 1.00 0.45 H new ATOM 0 HH22 ARG A 65 -2.290 6.965 9.451 1.00 0.45 H new ATOM 959 N PHE A 66 -0.128 -0.139 6.283 1.00 51.41 N ATOM 960 CA PHE A 66 0.871 -0.892 5.550 1.00 72.10 C ATOM 961 C PHE A 66 2.241 -0.242 5.714 1.00 1.13 C ATOM 962 O PHE A 66 2.334 0.952 6.010 1.00 11.14 O ATOM 963 CB PHE A 66 0.483 -1.025 4.055 1.00 43.00 C ATOM 964 CG PHE A 66 0.430 0.255 3.252 1.00 50.33 C ATOM 965 CD1 PHE A 66 -0.547 1.213 3.478 1.00 14.53 C ATOM 966 CD2 PHE A 66 1.352 0.480 2.244 1.00 54.31 C ATOM 967 CE1 PHE A 66 -0.596 2.363 2.727 1.00 32.30 C ATOM 968 CE2 PHE A 66 1.301 1.629 1.486 1.00 74.04 C ATOM 969 CZ PHE A 66 0.323 2.571 1.729 1.00 51.13 C ATOM 0 H PHE A 66 0.132 0.830 6.464 1.00 51.41 H new ATOM 0 HA PHE A 66 0.919 -1.900 5.962 1.00 72.10 H new ATOM 0 HB2 PHE A 66 1.195 -1.698 3.577 1.00 43.00 H new ATOM 0 HB3 PHE A 66 -0.495 -1.503 3.998 1.00 43.00 H new ATOM 0 HD1 PHE A 66 -1.280 1.053 4.255 1.00 14.53 H new ATOM 0 HD2 PHE A 66 2.120 -0.254 2.050 1.00 54.31 H new ATOM 0 HE1 PHE A 66 -1.358 3.103 2.922 1.00 32.30 H new ATOM 0 HE2 PHE A 66 2.026 1.792 0.702 1.00 74.04 H new ATOM 0 HZ PHE A 66 0.280 3.472 1.134 1.00 51.13 H new ATOM 979 N THR A 67 3.296 -1.030 5.561 1.00 21.22 N ATOM 980 CA THR A 67 4.654 -0.530 5.716 1.00 1.50 C ATOM 981 C THR A 67 5.563 -1.092 4.616 1.00 44.31 C ATOM 982 O THR A 67 5.597 -2.300 4.370 1.00 44.13 O ATOM 983 CB THR A 67 5.206 -0.880 7.128 1.00 21.32 C ATOM 984 OG1 THR A 67 4.341 -0.333 8.131 1.00 63.11 O ATOM 985 CG2 THR A 67 6.610 -0.337 7.357 1.00 20.04 C ATOM 0 H THR A 67 3.237 -2.021 5.329 1.00 21.22 H new ATOM 0 HA THR A 67 4.637 0.556 5.619 1.00 1.50 H new ATOM 0 HB THR A 67 5.247 -1.967 7.193 1.00 21.32 H new ATOM 0 HG1 THR A 67 3.820 -1.054 8.542 1.00 63.11 H new ATOM 0 HG21 THR A 67 6.947 -0.610 8.357 1.00 20.04 H new ATOM 0 HG22 THR A 67 7.289 -0.761 6.617 1.00 20.04 H new ATOM 0 HG23 THR A 67 6.600 0.749 7.261 1.00 20.04 H new ATOM 993 N SER A 68 6.285 -0.194 3.960 1.00 23.42 N ATOM 994 CA SER A 68 7.257 -0.559 2.940 1.00 14.01 C ATOM 995 C SER A 68 8.666 -0.531 3.540 1.00 54.31 C ATOM 996 O SER A 68 8.832 -0.264 4.734 1.00 70.42 O ATOM 997 CB SER A 68 7.161 0.420 1.765 1.00 11.20 C ATOM 998 OG SER A 68 5.842 0.472 1.244 1.00 24.23 O ATOM 0 H SER A 68 6.213 0.811 4.121 1.00 23.42 H new ATOM 0 HA SER A 68 7.047 -1.566 2.579 1.00 14.01 H new ATOM 0 HB2 SER A 68 7.465 1.415 2.092 1.00 11.20 H new ATOM 0 HB3 SER A 68 7.853 0.117 0.979 1.00 11.20 H new ATOM 0 HG SER A 68 5.810 1.106 0.497 1.00 24.23 H new ATOM 1004 N ASP A 69 9.672 -0.837 2.724 1.00 41.40 N ATOM 1005 CA ASP A 69 11.065 -0.685 3.145 1.00 23.55 C ATOM 1006 C ASP A 69 11.447 0.787 3.159 1.00 41.44 C ATOM 1007 O ASP A 69 11.921 1.298 4.176 1.00 44.35 O ATOM 1008 CB ASP A 69 12.012 -1.486 2.249 1.00 13.12 C ATOM 1009 CG ASP A 69 11.930 -2.970 2.532 1.00 43.34 C ATOM 1010 OD1 ASP A 69 12.619 -3.447 3.458 1.00 64.42 O ATOM 1011 OD2 ASP A 69 11.161 -3.664 1.845 1.00 41.31 O ATOM 0 H ASP A 69 9.552 -1.189 1.774 1.00 41.40 H new ATOM 0 HA ASP A 69 11.161 -1.083 4.155 1.00 23.55 H new ATOM 0 HB2 ASP A 69 11.767 -1.301 1.203 1.00 13.12 H new ATOM 0 HB3 ASP A 69 13.035 -1.142 2.402 1.00 13.12 H new ATOM 1016 N ILE A 70 11.226 1.467 2.030 1.00 5.33 N ATOM 1017 CA ILE A 70 11.354 2.922 1.967 1.00 14.44 C ATOM 1018 C ILE A 70 10.096 3.548 1.372 1.00 15.43 C ATOM 1019 O ILE A 70 9.470 2.988 0.468 1.00 50.23 O ATOM 1020 CB ILE A 70 12.613 3.411 1.170 1.00 51.34 C ATOM 1021 CG1 ILE A 70 12.715 2.780 -0.229 1.00 31.30 C ATOM 1022 CG2 ILE A 70 13.889 3.151 1.952 1.00 14.40 C ATOM 1023 CD1 ILE A 70 12.387 3.733 -1.365 1.00 65.15 C ATOM 0 H ILE A 70 10.958 1.031 1.148 1.00 5.33 H new ATOM 0 HA ILE A 70 11.486 3.251 2.998 1.00 14.44 H new ATOM 0 HB ILE A 70 12.488 4.485 1.034 1.00 51.34 H new ATOM 0 HG12 ILE A 70 13.726 2.398 -0.370 1.00 31.30 H new ATOM 0 HG13 ILE A 70 12.041 1.925 -0.280 1.00 31.30 H new ATOM 0 HG21 ILE A 70 14.746 3.500 1.376 1.00 14.40 H new ATOM 0 HG22 ILE A 70 13.849 3.684 2.902 1.00 14.40 H new ATOM 0 HG23 ILE A 70 13.989 2.082 2.140 1.00 14.40 H new ATOM 0 HD11 ILE A 70 12.482 3.211 -2.317 1.00 65.15 H new ATOM 0 HD12 ILE A 70 11.366 4.097 -1.251 1.00 65.15 H new ATOM 0 HD13 ILE A 70 13.077 4.576 -1.343 1.00 65.15 H new ATOM 1035 N THR A 71 9.702 4.683 1.929 1.00 30.13 N ATOM 1036 CA THR A 71 8.706 5.540 1.302 1.00 72.04 C ATOM 1037 C THR A 71 9.406 6.672 0.542 1.00 22.42 C ATOM 1038 O THR A 71 8.790 7.385 -0.255 1.00 72.42 O ATOM 1039 CB THR A 71 7.730 6.123 2.348 1.00 71.40 C ATOM 1040 OG1 THR A 71 8.461 6.743 3.416 1.00 1.22 O ATOM 1041 CG2 THR A 71 6.823 5.040 2.917 1.00 13.35 C ATOM 0 H THR A 71 10.058 5.034 2.818 1.00 30.13 H new ATOM 0 HA THR A 71 8.125 4.938 0.603 1.00 72.04 H new ATOM 0 HB THR A 71 7.111 6.868 1.848 1.00 71.40 H new ATOM 0 HG1 THR A 71 7.833 7.111 4.072 1.00 1.22 H new ATOM 0 HG21 THR A 71 6.147 5.480 3.650 1.00 13.35 H new ATOM 0 HG22 THR A 71 6.242 4.592 2.111 1.00 13.35 H new ATOM 0 HG23 THR A 71 7.430 4.272 3.397 1.00 13.35 H new ATOM 1049 N GLU A 72 10.711 6.793 0.796 1.00 61.01 N ATOM 1050 CA GLU A 72 11.567 7.797 0.191 1.00 73.24 C ATOM 1051 C GLU A 72 13.020 7.334 0.331 1.00 24.11 C ATOM 1052 O GLU A 72 13.387 6.742 1.349 1.00 31.02 O ATOM 1053 CB GLU A 72 11.367 9.153 0.879 1.00 71.42 C ATOM 1054 CG GLU A 72 11.993 10.329 0.140 1.00 61.51 C ATOM 1055 CD GLU A 72 11.906 11.614 0.929 1.00 24.53 C ATOM 1056 OE1 GLU A 72 10.897 12.334 0.795 1.00 2.14 O ATOM 1057 OE2 GLU A 72 12.845 11.908 1.697 1.00 53.21 O ATOM 0 H GLU A 72 11.206 6.179 1.443 1.00 61.01 H new ATOM 0 HA GLU A 72 11.315 7.918 -0.863 1.00 73.24 H new ATOM 0 HB2 GLU A 72 10.298 9.336 0.991 1.00 71.42 H new ATOM 0 HB3 GLU A 72 11.789 9.104 1.883 1.00 71.42 H new ATOM 0 HG2 GLU A 72 13.038 10.106 -0.073 1.00 61.51 H new ATOM 0 HG3 GLU A 72 11.493 10.460 -0.820 1.00 61.51 H new ATOM 1064 N GLY A 73 13.825 7.587 -0.688 1.00 74.25 N ATOM 1065 CA GLY A 73 15.214 7.155 -0.693 1.00 74.23 C ATOM 1066 C GLY A 73 15.622 6.704 -2.071 1.00 24.25 C ATOM 1067 O GLY A 73 14.949 7.045 -3.035 1.00 12.13 O ATOM 0 H GLY A 73 13.539 8.092 -1.527 1.00 74.25 H new ATOM 0 HA2 GLY A 73 15.856 7.973 -0.367 1.00 74.23 H new ATOM 0 HA3 GLY A 73 15.350 6.340 0.018 1.00 74.23 H new ATOM 1071 N PHE A 74 16.697 5.933 -2.191 1.00 62.21 N ATOM 1072 CA PHE A 74 17.080 5.398 -3.491 1.00 14.13 C ATOM 1073 C PHE A 74 16.324 4.101 -3.767 1.00 23.23 C ATOM 1074 O PHE A 74 16.013 3.354 -2.833 1.00 62.13 O ATOM 1075 CB PHE A 74 18.607 5.189 -3.620 1.00 11.11 C ATOM 1076 CG PHE A 74 19.255 4.231 -2.637 1.00 53.13 C ATOM 1077 CD1 PHE A 74 19.372 2.878 -2.930 1.00 70.44 C ATOM 1078 CD2 PHE A 74 19.781 4.692 -1.441 1.00 1.41 C ATOM 1079 CE1 PHE A 74 19.986 2.009 -2.049 1.00 45.44 C ATOM 1080 CE2 PHE A 74 20.402 3.827 -0.557 1.00 40.30 C ATOM 1081 CZ PHE A 74 20.503 2.485 -0.862 1.00 54.02 C ATOM 0 H PHE A 74 17.309 5.668 -1.419 1.00 62.21 H new ATOM 0 HA PHE A 74 16.806 6.138 -4.243 1.00 14.13 H new ATOM 0 HB2 PHE A 74 18.817 4.833 -4.629 1.00 11.11 H new ATOM 0 HB3 PHE A 74 19.092 6.160 -3.517 1.00 11.11 H new ATOM 0 HD1 PHE A 74 18.977 2.500 -3.861 1.00 70.44 H new ATOM 0 HD2 PHE A 74 19.705 5.741 -1.195 1.00 1.41 H new ATOM 0 HE1 PHE A 74 20.061 0.959 -2.289 1.00 45.44 H new ATOM 0 HE2 PHE A 74 20.807 4.202 0.371 1.00 40.30 H new ATOM 0 HZ PHE A 74 20.986 1.808 -0.173 1.00 54.02 H new ATOM 1091 N ALA A 75 15.959 3.915 -5.045 1.00 52.24 N ATOM 1092 CA ALA A 75 15.291 2.700 -5.540 1.00 61.13 C ATOM 1093 C ALA A 75 16.007 1.407 -5.110 1.00 24.42 C ATOM 1094 O ALA A 75 17.123 1.132 -5.559 1.00 52.43 O ATOM 1095 CB ALA A 75 15.184 2.770 -7.061 1.00 11.51 C ATOM 0 H ALA A 75 16.121 4.612 -5.772 1.00 52.24 H new ATOM 0 HA ALA A 75 14.297 2.664 -5.094 1.00 61.13 H new ATOM 0 HB1 ALA A 75 14.690 1.872 -7.433 1.00 11.51 H new ATOM 0 HB2 ALA A 75 14.603 3.648 -7.345 1.00 11.51 H new ATOM 0 HB3 ALA A 75 16.182 2.840 -7.493 1.00 11.51 H new ATOM 1101 N PRO A 76 15.374 0.608 -4.212 1.00 71.45 N ATOM 1102 CA PRO A 76 15.940 -0.639 -3.712 1.00 21.11 C ATOM 1103 C PRO A 76 15.516 -1.878 -4.508 1.00 1.35 C ATOM 1104 O PRO A 76 14.649 -1.818 -5.391 1.00 1.34 O ATOM 1105 CB PRO A 76 15.385 -0.694 -2.289 1.00 73.55 C ATOM 1106 CG PRO A 76 14.051 -0.023 -2.361 1.00 52.04 C ATOM 1107 CD PRO A 76 14.066 0.876 -3.579 1.00 13.31 C ATOM 0 HA PRO A 76 17.028 -0.651 -3.785 1.00 21.11 H new ATOM 0 HB2 PRO A 76 15.290 -1.723 -1.943 1.00 73.55 H new ATOM 0 HB3 PRO A 76 16.046 -0.183 -1.589 1.00 73.55 H new ATOM 0 HG2 PRO A 76 13.253 -0.761 -2.438 1.00 52.04 H new ATOM 0 HG3 PRO A 76 13.863 0.557 -1.457 1.00 52.04 H new ATOM 0 HD2 PRO A 76 13.242 0.645 -4.254 1.00 13.31 H new ATOM 0 HD3 PRO A 76 13.966 1.925 -3.301 1.00 13.31 H new ATOM 1115 N LEU A 77 16.124 -3.007 -4.173 1.00 54.45 N ATOM 1116 CA LEU A 77 15.865 -4.244 -4.870 1.00 75.34 C ATOM 1117 C LEU A 77 14.990 -5.141 -3.993 1.00 30.12 C ATOM 1118 O LEU A 77 15.400 -5.537 -2.897 1.00 72.55 O ATOM 1119 CB LEU A 77 17.199 -4.914 -5.248 1.00 2.12 C ATOM 1120 CG LEU A 77 17.136 -5.987 -6.342 1.00 74.02 C ATOM 1121 CD1 LEU A 77 18.381 -5.917 -7.216 1.00 44.53 C ATOM 1122 CD2 LEU A 77 17.010 -7.381 -5.742 1.00 12.42 C ATOM 0 H LEU A 77 16.804 -3.084 -3.416 1.00 54.45 H new ATOM 0 HA LEU A 77 15.323 -4.056 -5.797 1.00 75.34 H new ATOM 0 HB2 LEU A 77 17.892 -4.137 -5.571 1.00 2.12 H new ATOM 0 HB3 LEU A 77 17.621 -5.365 -4.350 1.00 2.12 H new ATOM 0 HG LEU A 77 16.252 -5.794 -6.950 1.00 74.02 H new ATOM 0 HD11 LEU A 77 18.326 -6.683 -7.989 1.00 44.53 H new ATOM 0 HD12 LEU A 77 18.443 -4.934 -7.683 1.00 44.53 H new ATOM 0 HD13 LEU A 77 19.266 -6.084 -6.602 1.00 44.53 H new ATOM 0 HD21 LEU A 77 16.968 -8.119 -6.543 1.00 12.42 H new ATOM 0 HD22 LEU A 77 17.873 -7.583 -5.107 1.00 12.42 H new ATOM 0 HD23 LEU A 77 16.099 -7.440 -5.146 1.00 12.42 H new ATOM 1134 N SER A 78 13.796 -5.440 -4.522 1.00 75.42 N ATOM 1135 CA SER A 78 12.736 -6.215 -3.857 1.00 63.01 C ATOM 1136 C SER A 78 12.234 -5.566 -2.571 1.00 74.33 C ATOM 1137 O SER A 78 12.855 -5.654 -1.509 1.00 11.31 O ATOM 1138 CB SER A 78 13.169 -7.667 -3.604 1.00 71.41 C ATOM 1139 OG SER A 78 13.545 -8.311 -4.811 1.00 53.02 O ATOM 0 H SER A 78 13.530 -5.138 -5.459 1.00 75.42 H new ATOM 0 HA SER A 78 11.896 -6.223 -4.551 1.00 63.01 H new ATOM 0 HB2 SER A 78 14.005 -7.683 -2.905 1.00 71.41 H new ATOM 0 HB3 SER A 78 12.352 -8.216 -3.136 1.00 71.41 H new ATOM 0 HG SER A 78 13.176 -7.818 -5.573 1.00 53.02 H new ATOM 1145 N VAL A 79 11.091 -4.913 -2.689 1.00 24.03 N ATOM 1146 CA VAL A 79 10.418 -4.342 -1.537 1.00 74.14 C ATOM 1147 C VAL A 79 9.448 -5.344 -0.930 1.00 65.01 C ATOM 1148 O VAL A 79 8.654 -5.977 -1.633 1.00 35.21 O ATOM 1149 CB VAL A 79 9.686 -3.015 -1.855 1.00 2.34 C ATOM 1150 CG1 VAL A 79 10.663 -1.852 -1.813 1.00 54.14 C ATOM 1151 CG2 VAL A 79 8.978 -3.058 -3.209 1.00 65.02 C ATOM 0 H VAL A 79 10.608 -4.765 -3.575 1.00 24.03 H new ATOM 0 HA VAL A 79 11.198 -4.106 -0.813 1.00 74.14 H new ATOM 0 HB VAL A 79 8.922 -2.875 -1.090 1.00 2.34 H new ATOM 0 HG11 VAL A 79 10.135 -0.925 -2.038 1.00 54.14 H new ATOM 0 HG12 VAL A 79 11.106 -1.785 -0.819 1.00 54.14 H new ATOM 0 HG13 VAL A 79 11.449 -2.011 -2.551 1.00 54.14 H new ATOM 0 HG21 VAL A 79 8.479 -2.106 -3.389 1.00 65.02 H new ATOM 0 HG22 VAL A 79 9.710 -3.239 -3.997 1.00 65.02 H new ATOM 0 HG23 VAL A 79 8.240 -3.860 -3.208 1.00 65.02 H new ATOM 1161 N ARG A 80 9.541 -5.502 0.378 1.00 63.42 N ATOM 1162 CA ARG A 80 8.682 -6.410 1.108 1.00 54.23 C ATOM 1163 C ARG A 80 7.489 -5.632 1.640 1.00 54.15 C ATOM 1164 O ARG A 80 7.601 -4.913 2.648 1.00 52.13 O ATOM 1165 CB ARG A 80 9.456 -7.067 2.255 1.00 71.24 C ATOM 1166 CG ARG A 80 8.773 -8.292 2.839 1.00 33.44 C ATOM 1167 CD ARG A 80 9.599 -8.925 3.950 1.00 20.51 C ATOM 1168 NE ARG A 80 10.968 -9.263 3.528 1.00 21.52 N ATOM 1169 CZ ARG A 80 11.429 -10.517 3.366 1.00 23.21 C ATOM 1170 NH1 ARG A 80 10.616 -11.567 3.505 1.00 43.11 N ATOM 1171 NH2 ARG A 80 12.704 -10.712 3.046 1.00 22.32 N ATOM 0 H ARG A 80 10.214 -5.004 0.961 1.00 63.42 H new ATOM 0 HA ARG A 80 8.332 -7.202 0.445 1.00 54.23 H new ATOM 0 HB2 ARG A 80 10.445 -7.352 1.896 1.00 71.24 H new ATOM 0 HB3 ARG A 80 9.603 -6.333 3.048 1.00 71.24 H new ATOM 0 HG2 ARG A 80 7.794 -8.011 3.229 1.00 33.44 H new ATOM 0 HG3 ARG A 80 8.604 -9.024 2.050 1.00 33.44 H new ATOM 0 HD2 ARG A 80 9.644 -8.240 4.797 1.00 20.51 H new ATOM 0 HD3 ARG A 80 9.098 -9.829 4.298 1.00 20.51 H new ATOM 0 HE ARG A 80 11.612 -8.493 3.346 1.00 21.52 H new ATOM 0 HH11 ARG A 80 9.633 -11.424 3.737 1.00 43.11 H new ATOM 0 HH12 ARG A 80 10.978 -12.512 3.380 1.00 43.11 H new ATOM 0 HH21 ARG A 80 13.327 -9.914 2.925 1.00 22.32 H new ATOM 0 HH22 ARG A 80 13.059 -11.660 2.922 1.00 22.32 H new ATOM 1185 N PHE A 81 6.365 -5.742 0.935 1.00 62.40 N ATOM 1186 CA PHE A 81 5.148 -5.047 1.320 1.00 61.24 C ATOM 1187 C PHE A 81 4.499 -5.747 2.510 1.00 2.12 C ATOM 1188 O PHE A 81 4.230 -6.949 2.486 1.00 63.44 O ATOM 1189 CB PHE A 81 4.170 -4.882 0.123 1.00 2.15 C ATOM 1190 CG PHE A 81 3.787 -6.148 -0.623 1.00 70.44 C ATOM 1191 CD1 PHE A 81 4.604 -6.668 -1.621 1.00 55.45 C ATOM 1192 CD2 PHE A 81 2.595 -6.802 -0.341 1.00 5.23 C ATOM 1193 CE1 PHE A 81 4.242 -7.811 -2.310 1.00 64.14 C ATOM 1194 CE2 PHE A 81 2.230 -7.943 -1.028 1.00 4.42 C ATOM 1195 CZ PHE A 81 3.055 -8.448 -2.014 1.00 42.13 C ATOM 0 H PHE A 81 6.276 -6.309 0.092 1.00 62.40 H new ATOM 0 HA PHE A 81 5.412 -4.036 1.630 1.00 61.24 H new ATOM 0 HB2 PHE A 81 3.257 -4.414 0.491 1.00 2.15 H new ATOM 0 HB3 PHE A 81 4.618 -4.189 -0.590 1.00 2.15 H new ATOM 0 HD1 PHE A 81 5.533 -6.173 -1.861 1.00 55.45 H new ATOM 0 HD2 PHE A 81 1.943 -6.412 0.427 1.00 5.23 H new ATOM 0 HE1 PHE A 81 4.889 -8.205 -3.080 1.00 64.14 H new ATOM 0 HE2 PHE A 81 1.300 -8.440 -0.794 1.00 4.42 H new ATOM 0 HZ PHE A 81 2.771 -9.340 -2.552 1.00 42.13 H new ATOM 1205 N LYS A 82 4.316 -4.980 3.566 1.00 24.04 N ATOM 1206 CA LYS A 82 3.767 -5.478 4.818 1.00 71.31 C ATOM 1207 C LYS A 82 2.457 -4.771 5.071 1.00 51.55 C ATOM 1208 O LYS A 82 2.283 -3.644 4.620 1.00 22.10 O ATOM 1209 CB LYS A 82 4.725 -5.183 5.985 1.00 24.43 C ATOM 1210 CG LYS A 82 6.154 -5.635 5.747 1.00 71.05 C ATOM 1211 CD LYS A 82 7.073 -5.166 6.858 1.00 12.42 C ATOM 1212 CE LYS A 82 8.532 -5.481 6.553 1.00 74.53 C ATOM 1213 NZ LYS A 82 9.056 -4.681 5.405 1.00 13.22 N ATOM 0 H LYS A 82 4.545 -3.986 3.583 1.00 24.04 H new ATOM 0 HA LYS A 82 3.624 -6.556 4.747 1.00 71.31 H new ATOM 0 HB2 LYS A 82 4.723 -4.111 6.180 1.00 24.43 H new ATOM 0 HB3 LYS A 82 4.346 -5.671 6.883 1.00 24.43 H new ATOM 0 HG2 LYS A 82 6.187 -6.722 5.680 1.00 71.05 H new ATOM 0 HG3 LYS A 82 6.506 -5.246 4.792 1.00 71.05 H new ATOM 0 HD2 LYS A 82 6.954 -4.092 6.999 1.00 12.42 H new ATOM 0 HD3 LYS A 82 6.785 -5.644 7.794 1.00 12.42 H new ATOM 0 HE2 LYS A 82 9.137 -5.282 7.438 1.00 74.53 H new ATOM 0 HE3 LYS A 82 8.633 -6.543 6.329 1.00 74.53 H new ATOM 0 HZ1 LYS A 82 10.087 -4.800 5.341 1.00 13.22 H new ATOM 0 HZ2 LYS A 82 8.614 -5.009 4.523 1.00 13.22 H new ATOM 0 HZ3 LYS A 82 8.832 -3.676 5.551 1.00 13.22 H new ATOM 1227 N ASP A 83 1.538 -5.411 5.774 1.00 23.54 N ATOM 1228 CA ASP A 83 0.315 -4.738 6.165 1.00 1.34 C ATOM 1229 C ASP A 83 0.053 -4.931 7.650 1.00 14.55 C ATOM 1230 O ASP A 83 0.353 -5.980 8.226 1.00 13.02 O ATOM 1231 CB ASP A 83 -0.895 -5.179 5.313 1.00 43.10 C ATOM 1232 CG ASP A 83 -1.545 -6.482 5.749 1.00 74.12 C ATOM 1233 OD1 ASP A 83 -0.927 -7.550 5.598 1.00 62.23 O ATOM 1234 OD2 ASP A 83 -2.690 -6.434 6.240 1.00 22.31 O ATOM 0 H ASP A 83 1.614 -6.381 6.081 1.00 23.54 H new ATOM 0 HA ASP A 83 0.451 -3.673 5.976 1.00 1.34 H new ATOM 0 HB2 ASP A 83 -1.646 -4.389 5.339 1.00 43.10 H new ATOM 0 HB3 ASP A 83 -0.573 -5.280 4.276 1.00 43.10 H new ATOM 1239 N PHE A 84 -0.454 -3.878 8.262 1.00 11.31 N ATOM 1240 CA PHE A 84 -0.842 -3.884 9.668 1.00 33.15 C ATOM 1241 C PHE A 84 -2.306 -3.463 9.778 1.00 50.35 C ATOM 1242 O PHE A 84 -2.741 -2.889 10.786 1.00 74.33 O ATOM 1243 CB PHE A 84 0.070 -2.944 10.471 1.00 52.33 C ATOM 1244 CG PHE A 84 1.516 -3.375 10.487 1.00 65.44 C ATOM 1245 CD1 PHE A 84 1.916 -4.464 11.245 1.00 22.24 C ATOM 1246 CD2 PHE A 84 2.468 -2.707 9.734 1.00 45.23 C ATOM 1247 CE1 PHE A 84 3.234 -4.874 11.255 1.00 44.32 C ATOM 1248 CE2 PHE A 84 3.788 -3.117 9.740 1.00 24.51 C ATOM 1249 CZ PHE A 84 4.170 -4.198 10.502 1.00 24.42 C ATOM 0 H PHE A 84 -0.611 -2.984 7.797 1.00 11.31 H new ATOM 0 HA PHE A 84 -0.731 -4.886 10.083 1.00 33.15 H new ATOM 0 HB2 PHE A 84 0.003 -1.940 10.051 1.00 52.33 H new ATOM 0 HB3 PHE A 84 -0.295 -2.886 11.497 1.00 52.33 H new ATOM 0 HD1 PHE A 84 1.187 -4.999 11.836 1.00 22.24 H new ATOM 0 HD2 PHE A 84 2.176 -1.857 9.136 1.00 45.23 H new ATOM 0 HE1 PHE A 84 3.532 -5.723 11.852 1.00 44.32 H new ATOM 0 HE2 PHE A 84 4.520 -2.589 9.147 1.00 24.51 H new ATOM 0 HZ PHE A 84 5.202 -4.516 10.510 1.00 24.42 H new ATOM 1259 N SER A 85 -3.037 -3.744 8.693 1.00 55.52 N ATOM 1260 CA SER A 85 -4.455 -3.423 8.549 1.00 41.41 C ATOM 1261 C SER A 85 -5.309 -3.994 9.687 1.00 15.03 C ATOM 1262 O SER A 85 -5.207 -5.174 10.032 1.00 71.54 O ATOM 1263 CB SER A 85 -4.963 -3.957 7.217 1.00 11.34 C ATOM 1264 OG SER A 85 -4.154 -3.500 6.149 1.00 34.35 O ATOM 0 H SER A 85 -2.647 -4.211 7.874 1.00 55.52 H new ATOM 0 HA SER A 85 -4.547 -2.338 8.588 1.00 41.41 H new ATOM 0 HB2 SER A 85 -4.967 -5.047 7.235 1.00 11.34 H new ATOM 0 HB3 SER A 85 -5.993 -3.637 7.061 1.00 11.34 H new ATOM 0 HG SER A 85 -3.477 -2.881 6.493 1.00 34.35 H new ATOM 1270 N GLU A 86 -6.151 -3.139 10.252 1.00 60.43 N ATOM 1271 CA GLU A 86 -6.990 -3.490 11.383 1.00 44.03 C ATOM 1272 C GLU A 86 -8.433 -3.624 10.901 1.00 43.21 C ATOM 1273 O GLU A 86 -8.846 -2.862 10.027 1.00 24.41 O ATOM 1274 CB GLU A 86 -6.871 -2.375 12.445 1.00 3.55 C ATOM 1275 CG GLU A 86 -7.699 -2.566 13.712 1.00 35.32 C ATOM 1276 CD GLU A 86 -7.319 -3.810 14.487 1.00 2.10 C ATOM 1277 OE1 GLU A 86 -6.230 -3.827 15.089 1.00 72.12 O ATOM 1278 OE2 GLU A 86 -8.114 -4.770 14.509 1.00 3.14 O ATOM 0 H GLU A 86 -6.270 -2.177 9.934 1.00 60.43 H new ATOM 0 HA GLU A 86 -6.677 -4.437 11.823 1.00 44.03 H new ATOM 0 HB2 GLU A 86 -5.823 -2.283 12.730 1.00 3.55 H new ATOM 0 HB3 GLU A 86 -7.160 -1.430 11.985 1.00 3.55 H new ATOM 0 HG2 GLU A 86 -7.577 -1.694 14.354 1.00 35.32 H new ATOM 0 HG3 GLU A 86 -8.754 -2.620 13.445 1.00 35.32 H new ATOM 1285 N ASN A 87 -9.160 -4.623 11.437 1.00 3.52 N ATOM 1286 CA ASN A 87 -10.614 -4.806 11.200 1.00 71.30 C ATOM 1287 C ASN A 87 -10.918 -5.064 9.726 1.00 63.51 C ATOM 1288 O ASN A 87 -11.903 -4.571 9.183 1.00 44.12 O ATOM 1289 CB ASN A 87 -11.406 -3.585 11.703 1.00 12.44 C ATOM 1290 CG ASN A 87 -11.350 -3.422 13.208 1.00 73.12 C ATOM 1291 OD1 ASN A 87 -11.427 -4.392 13.962 1.00 75.14 O ATOM 1292 ND2 ASN A 87 -11.159 -2.191 13.649 1.00 0.02 N ATOM 0 H ASN A 87 -8.758 -5.332 12.050 1.00 3.52 H new ATOM 0 HA ASN A 87 -10.927 -5.685 11.763 1.00 71.30 H new ATOM 0 HB2 ASN A 87 -11.013 -2.685 11.231 1.00 12.44 H new ATOM 0 HB3 ASN A 87 -12.446 -3.680 11.392 1.00 12.44 H new ATOM 0 HD21 ASN A 87 -11.069 -2.016 14.650 1.00 0.02 H new ATOM 0 HD22 ASN A 87 -11.101 -1.416 12.989 1.00 0.02 H new ATOM 1299 N ALA A 88 -10.061 -5.839 9.080 1.00 20.43 N ATOM 1300 CA ALA A 88 -10.191 -6.072 7.659 1.00 71.55 C ATOM 1301 C ALA A 88 -10.633 -7.492 7.369 1.00 20.32 C ATOM 1302 O ALA A 88 -10.137 -8.450 7.962 1.00 13.14 O ATOM 1303 CB ALA A 88 -8.878 -5.766 6.960 1.00 72.15 C ATOM 0 H ALA A 88 -9.272 -6.314 9.519 1.00 20.43 H new ATOM 0 HA ALA A 88 -10.962 -5.404 7.274 1.00 71.55 H new ATOM 0 HB1 ALA A 88 -8.985 -5.944 5.890 1.00 72.15 H new ATOM 0 HB2 ALA A 88 -8.610 -4.723 7.129 1.00 72.15 H new ATOM 0 HB3 ALA A 88 -8.095 -6.411 7.359 1.00 72.15 H new ATOM 1309 N THR A 89 -11.570 -7.604 6.448 1.00 71.12 N ATOM 1310 CA THR A 89 -12.007 -8.878 5.922 1.00 5.02 C ATOM 1311 C THR A 89 -11.008 -9.345 4.860 1.00 5.30 C ATOM 1312 O THR A 89 -10.576 -10.498 4.859 1.00 13.42 O ATOM 1313 CB THR A 89 -13.415 -8.749 5.292 1.00 13.30 C ATOM 1314 OG1 THR A 89 -14.258 -7.961 6.145 1.00 14.01 O ATOM 1315 CG2 THR A 89 -14.059 -10.113 5.072 1.00 53.32 C ATOM 0 H THR A 89 -12.053 -6.803 6.041 1.00 71.12 H new ATOM 0 HA THR A 89 -12.057 -9.604 6.733 1.00 5.02 H new ATOM 0 HB THR A 89 -13.302 -8.264 4.323 1.00 13.30 H new ATOM 0 HG1 THR A 89 -15.148 -7.880 5.742 1.00 14.01 H new ATOM 0 HG21 THR A 89 -15.046 -9.982 4.628 1.00 53.32 H new ATOM 0 HG22 THR A 89 -13.436 -10.706 4.402 1.00 53.32 H new ATOM 0 HG23 THR A 89 -14.156 -10.628 6.028 1.00 53.32 H new ATOM 1323 N SER A 90 -10.634 -8.422 3.967 1.00 11.42 N ATOM 1324 CA SER A 90 -9.691 -8.704 2.890 1.00 52.02 C ATOM 1325 C SER A 90 -8.821 -7.482 2.602 1.00 5.51 C ATOM 1326 O SER A 90 -9.194 -6.350 2.940 1.00 24.05 O ATOM 1327 CB SER A 90 -10.445 -9.099 1.614 1.00 15.41 C ATOM 1328 OG SER A 90 -11.246 -10.253 1.817 1.00 42.12 O ATOM 0 H SER A 90 -10.978 -7.462 3.974 1.00 11.42 H new ATOM 0 HA SER A 90 -9.053 -9.529 3.207 1.00 52.02 H new ATOM 0 HB2 SER A 90 -11.075 -8.270 1.292 1.00 15.41 H new ATOM 0 HB3 SER A 90 -9.731 -9.287 0.812 1.00 15.41 H new ATOM 0 HG SER A 90 -11.714 -10.477 0.986 1.00 42.12 H new ATOM 1334 N ARG A 91 -7.667 -7.723 1.976 1.00 12.15 N ATOM 1335 CA ARG A 91 -6.811 -6.648 1.470 1.00 73.44 C ATOM 1336 C ARG A 91 -7.010 -6.502 -0.031 1.00 73.40 C ATOM 1337 O ARG A 91 -7.412 -7.448 -0.712 1.00 1.41 O ATOM 1338 CB ARG A 91 -5.306 -6.900 1.691 1.00 70.03 C ATOM 1339 CG ARG A 91 -4.836 -7.047 3.129 1.00 34.44 C ATOM 1340 CD ARG A 91 -4.849 -8.502 3.562 1.00 71.51 C ATOM 1341 NE ARG A 91 -3.871 -8.776 4.611 1.00 73.30 N ATOM 1342 CZ ARG A 91 -3.499 -9.999 5.000 1.00 64.22 C ATOM 1343 NH1 ARG A 91 -4.099 -11.086 4.511 1.00 4.04 N ATOM 1344 NH2 ARG A 91 -2.525 -10.129 5.881 1.00 51.33 N ATOM 0 H ARG A 91 -7.302 -8.660 1.807 1.00 12.15 H new ATOM 0 HA ARG A 91 -7.101 -5.756 2.024 1.00 73.44 H new ATOM 0 HB2 ARG A 91 -5.031 -7.806 1.150 1.00 70.03 H new ATOM 0 HB3 ARG A 91 -4.754 -6.077 1.236 1.00 70.03 H new ATOM 0 HG2 ARG A 91 -3.828 -6.644 3.229 1.00 34.44 H new ATOM 0 HG3 ARG A 91 -5.480 -6.463 3.787 1.00 34.44 H new ATOM 0 HD2 ARG A 91 -5.845 -8.764 3.919 1.00 71.51 H new ATOM 0 HD3 ARG A 91 -4.642 -9.137 2.701 1.00 71.51 H new ATOM 0 HE ARG A 91 -3.442 -7.978 5.080 1.00 73.30 H new ATOM 0 HH11 ARG A 91 -4.853 -10.990 3.831 1.00 4.04 H new ATOM 0 HH12 ARG A 91 -3.804 -12.013 4.818 1.00 4.04 H new ATOM 0 HH21 ARG A 91 -2.064 -9.301 6.258 1.00 51.33 H new ATOM 0 HH22 ARG A 91 -2.233 -11.058 6.185 1.00 51.33 H new ATOM 1358 N LEU A 92 -6.723 -5.318 -0.534 1.00 11.22 N ATOM 1359 CA LEU A 92 -6.654 -5.071 -1.959 1.00 44.00 C ATOM 1360 C LEU A 92 -5.485 -4.128 -2.191 1.00 74.11 C ATOM 1361 O LEU A 92 -5.503 -2.981 -1.736 1.00 65.32 O ATOM 1362 CB LEU A 92 -7.973 -4.457 -2.476 1.00 74.33 C ATOM 1363 CG LEU A 92 -8.394 -4.806 -3.923 1.00 31.24 C ATOM 1364 CD1 LEU A 92 -9.769 -4.228 -4.216 1.00 53.54 C ATOM 1365 CD2 LEU A 92 -7.399 -4.299 -4.962 1.00 21.51 C ATOM 0 H LEU A 92 -6.530 -4.496 0.038 1.00 11.22 H new ATOM 0 HA LEU A 92 -6.508 -6.003 -2.505 1.00 44.00 H new ATOM 0 HB2 LEU A 92 -8.775 -4.767 -1.806 1.00 74.33 H new ATOM 0 HB3 LEU A 92 -7.894 -3.373 -2.399 1.00 74.33 H new ATOM 0 HG LEU A 92 -8.417 -5.893 -3.994 1.00 31.24 H new ATOM 0 HD11 LEU A 92 -10.059 -4.478 -5.237 1.00 53.54 H new ATOM 0 HD12 LEU A 92 -10.496 -4.647 -3.520 1.00 53.54 H new ATOM 0 HD13 LEU A 92 -9.740 -3.144 -4.102 1.00 53.54 H new ATOM 0 HD21 LEU A 92 -7.744 -4.572 -5.959 1.00 21.51 H new ATOM 0 HD22 LEU A 92 -7.318 -3.214 -4.890 1.00 21.51 H new ATOM 0 HD23 LEU A 92 -6.423 -4.748 -4.780 1.00 21.51 H new ATOM 1377 N TRP A 93 -4.461 -4.620 -2.865 1.00 15.34 N ATOM 1378 CA TRP A 93 -3.317 -3.791 -3.189 1.00 35.21 C ATOM 1379 C TRP A 93 -3.527 -3.143 -4.549 1.00 15.34 C ATOM 1380 O TRP A 93 -3.550 -3.815 -5.587 1.00 12.54 O ATOM 1381 CB TRP A 93 -2.019 -4.611 -3.174 1.00 23.31 C ATOM 1382 CG TRP A 93 -1.611 -5.104 -1.809 1.00 63.14 C ATOM 1383 CD1 TRP A 93 -1.842 -6.342 -1.273 1.00 41.15 C ATOM 1384 CD2 TRP A 93 -0.889 -4.367 -0.814 1.00 65.13 C ATOM 1385 NE1 TRP A 93 -1.300 -6.421 -0.012 1.00 53.41 N ATOM 1386 CE2 TRP A 93 -0.710 -5.225 0.292 1.00 31.25 C ATOM 1387 CE3 TRP A 93 -0.365 -3.072 -0.751 1.00 14.34 C ATOM 1388 CZ2 TRP A 93 -0.034 -4.823 1.445 1.00 71.35 C ATOM 1389 CZ3 TRP A 93 0.301 -2.677 0.394 1.00 74.25 C ATOM 1390 CH2 TRP A 93 0.463 -3.550 1.476 1.00 51.21 C ATOM 0 H TRP A 93 -4.399 -5.583 -3.196 1.00 15.34 H new ATOM 0 HA TRP A 93 -3.223 -3.012 -2.432 1.00 35.21 H new ATOM 0 HB2 TRP A 93 -2.137 -5.468 -3.836 1.00 23.31 H new ATOM 0 HB3 TRP A 93 -1.213 -4.001 -3.583 1.00 23.31 H new ATOM 0 HD1 TRP A 93 -2.373 -7.141 -1.769 1.00 41.15 H new ATOM 0 HE1 TRP A 93 -1.333 -7.238 0.597 1.00 53.41 H new ATOM 0 HE3 TRP A 93 -0.479 -2.392 -1.583 1.00 14.34 H new ATOM 0 HZ2 TRP A 93 0.092 -5.493 2.282 1.00 71.35 H new ATOM 0 HZ3 TRP A 93 0.704 -1.677 0.455 1.00 74.25 H new ATOM 0 HH2 TRP A 93 0.992 -3.211 2.354 1.00 51.21 H new ATOM 1401 N MET A 94 -3.701 -1.834 -4.516 1.00 53.05 N ATOM 1402 CA MET A 94 -3.921 -1.030 -5.704 1.00 3.50 C ATOM 1403 C MET A 94 -2.637 -0.309 -6.088 1.00 55.02 C ATOM 1404 O MET A 94 -2.290 0.719 -5.512 1.00 54.22 O ATOM 1405 CB MET A 94 -5.041 -0.006 -5.464 1.00 20.24 C ATOM 1406 CG MET A 94 -6.453 -0.557 -5.594 1.00 3.13 C ATOM 1407 SD MET A 94 -6.939 -0.818 -7.313 1.00 43.44 S ATOM 1408 CE MET A 94 -8.648 -1.320 -7.131 1.00 32.20 C ATOM 0 H MET A 94 -3.693 -1.293 -3.652 1.00 53.05 H new ATOM 0 HA MET A 94 -4.221 -1.690 -6.518 1.00 3.50 H new ATOM 0 HB2 MET A 94 -4.921 0.414 -4.465 1.00 20.24 H new ATOM 0 HB3 MET A 94 -4.921 0.815 -6.171 1.00 20.24 H new ATOM 0 HG2 MET A 94 -6.522 -1.501 -5.053 1.00 3.13 H new ATOM 0 HG3 MET A 94 -7.153 0.133 -5.123 1.00 3.13 H new ATOM 0 HE1 MET A 94 -9.077 -1.515 -8.114 1.00 32.20 H new ATOM 0 HE2 MET A 94 -8.699 -2.226 -6.527 1.00 32.20 H new ATOM 0 HE3 MET A 94 -9.210 -0.525 -6.641 1.00 32.20 H new ATOM 1418 N PHE A 95 -1.905 -0.881 -7.036 1.00 11.24 N ATOM 1419 CA PHE A 95 -0.706 -0.234 -7.558 1.00 53.14 C ATOM 1420 C PHE A 95 -1.077 0.695 -8.722 1.00 42.11 C ATOM 1421 O PHE A 95 -0.328 1.610 -9.063 1.00 32.40 O ATOM 1422 CB PHE A 95 0.324 -1.292 -7.993 1.00 1.21 C ATOM 1423 CG PHE A 95 1.711 -0.743 -8.231 1.00 23.23 C ATOM 1424 CD1 PHE A 95 2.489 -0.303 -7.170 1.00 50.45 C ATOM 1425 CD2 PHE A 95 2.232 -0.663 -9.514 1.00 53.41 C ATOM 1426 CE1 PHE A 95 3.756 0.206 -7.383 1.00 23.41 C ATOM 1427 CE2 PHE A 95 3.498 -0.156 -9.733 1.00 55.21 C ATOM 1428 CZ PHE A 95 4.262 0.279 -8.666 1.00 54.34 C ATOM 0 H PHE A 95 -2.118 -1.785 -7.457 1.00 11.24 H new ATOM 0 HA PHE A 95 -0.252 0.370 -6.772 1.00 53.14 H new ATOM 0 HB2 PHE A 95 0.378 -2.067 -7.228 1.00 1.21 H new ATOM 0 HB3 PHE A 95 -0.027 -1.771 -8.907 1.00 1.21 H new ATOM 0 HD1 PHE A 95 2.099 -0.359 -6.164 1.00 50.45 H new ATOM 0 HD2 PHE A 95 1.641 -1.001 -10.352 1.00 53.41 H new ATOM 0 HE1 PHE A 95 4.350 0.546 -6.547 1.00 23.41 H new ATOM 0 HE2 PHE A 95 3.891 -0.099 -10.737 1.00 55.21 H new ATOM 0 HZ PHE A 95 5.252 0.675 -8.835 1.00 54.34 H new ATOM 1438 N GLY A 96 -2.258 0.457 -9.311 1.00 25.41 N ATOM 1439 CA GLY A 96 -2.735 1.266 -10.427 1.00 2.41 C ATOM 1440 C GLY A 96 -2.167 0.815 -11.764 1.00 15.41 C ATOM 1441 O GLY A 96 -2.255 1.534 -12.761 1.00 12.14 O ATOM 0 H GLY A 96 -2.894 -0.289 -9.029 1.00 25.41 H new ATOM 0 HA2 GLY A 96 -3.823 1.220 -10.465 1.00 2.41 H new ATOM 0 HA3 GLY A 96 -2.466 2.308 -10.256 1.00 2.41 H new ATOM 1445 N ASP A 97 -1.579 -0.378 -11.775 1.00 1.10 N ATOM 1446 CA ASP A 97 -0.917 -0.901 -12.960 1.00 5.14 C ATOM 1447 C ASP A 97 -1.353 -2.335 -13.254 1.00 55.15 C ATOM 1448 O ASP A 97 -1.282 -3.205 -12.376 1.00 30.22 O ATOM 1449 CB ASP A 97 0.607 -0.813 -12.802 1.00 43.15 C ATOM 1450 CG ASP A 97 1.353 -1.237 -14.051 1.00 74.03 C ATOM 1451 OD1 ASP A 97 1.279 -0.519 -15.065 1.00 45.03 O ATOM 1452 OD2 ASP A 97 2.002 -2.302 -14.033 1.00 60.11 O ATOM 0 H ASP A 97 -1.549 -1.002 -10.969 1.00 1.10 H new ATOM 0 HA ASP A 97 -1.213 -0.288 -13.811 1.00 5.14 H new ATOM 0 HB2 ASP A 97 0.883 0.211 -12.550 1.00 43.15 H new ATOM 0 HB3 ASP A 97 0.918 -1.442 -11.968 1.00 43.15 H new ATOM 1457 N GLY A 98 -1.778 -2.573 -14.497 1.00 32.25 N ATOM 1458 CA GLY A 98 -2.179 -3.907 -14.928 1.00 21.11 C ATOM 1459 C GLY A 98 -3.493 -4.347 -14.312 1.00 50.33 C ATOM 1460 O GLY A 98 -4.490 -3.618 -14.367 1.00 22.43 O ATOM 0 H GLY A 98 -1.852 -1.857 -15.220 1.00 32.25 H new ATOM 0 HA2 GLY A 98 -2.268 -3.923 -16.014 1.00 21.11 H new ATOM 0 HA3 GLY A 98 -1.400 -4.621 -14.661 1.00 21.11 H new ATOM 1464 N ASN A 99 -3.490 -5.545 -13.743 1.00 12.44 N ATOM 1465 CA ASN A 99 -4.622 -6.041 -12.973 1.00 13.11 C ATOM 1466 C ASN A 99 -4.359 -5.809 -11.494 1.00 54.25 C ATOM 1467 O ASN A 99 -3.207 -5.727 -11.063 1.00 51.11 O ATOM 1468 CB ASN A 99 -4.878 -7.543 -13.205 1.00 2.32 C ATOM 1469 CG ASN A 99 -5.109 -7.909 -14.656 1.00 0.30 C ATOM 1470 OD1 ASN A 99 -6.215 -7.782 -15.174 1.00 11.32 O ATOM 1471 ND2 ASN A 99 -4.069 -8.394 -15.310 1.00 51.31 N ATOM 0 H ASN A 99 -2.708 -6.197 -13.802 1.00 12.44 H new ATOM 0 HA ASN A 99 -5.507 -5.498 -13.304 1.00 13.11 H new ATOM 0 HB2 ASN A 99 -4.026 -8.109 -12.829 1.00 2.32 H new ATOM 0 HB3 ASN A 99 -5.746 -7.848 -12.621 1.00 2.32 H new ATOM 0 HD21 ASN A 99 -4.167 -8.680 -16.284 1.00 51.31 H new ATOM 0 HD22 ASN A 99 -3.168 -8.482 -14.841 1.00 51.31 H new ATOM 1478 N THR A 100 -5.419 -5.630 -10.739 1.00 12.11 N ATOM 1479 CA THR A 100 -5.317 -5.643 -9.294 1.00 23.24 C ATOM 1480 C THR A 100 -6.018 -6.871 -8.717 1.00 72.43 C ATOM 1481 O THR A 100 -6.725 -7.583 -9.446 1.00 31.05 O ATOM 1482 CB THR A 100 -5.853 -4.343 -8.664 1.00 65.43 C ATOM 1483 OG1 THR A 100 -7.071 -3.940 -9.304 1.00 11.01 O ATOM 1484 CG2 THR A 100 -4.814 -3.236 -8.774 1.00 4.13 C ATOM 0 H THR A 100 -6.361 -5.474 -11.099 1.00 12.11 H new ATOM 0 HA THR A 100 -4.259 -5.702 -9.040 1.00 23.24 H new ATOM 0 HB THR A 100 -6.059 -4.530 -7.610 1.00 65.43 H new ATOM 0 HG1 THR A 100 -7.483 -3.211 -8.794 1.00 11.01 H new ATOM 0 HG21 THR A 100 -5.206 -2.323 -8.325 1.00 4.13 H new ATOM 0 HG22 THR A 100 -3.906 -3.536 -8.252 1.00 4.13 H new ATOM 0 HG23 THR A 100 -4.585 -3.055 -9.824 1.00 4.13 H new ATOM 1602 N THR A 109 10.047 -4.751 -8.237 1.00 52.34 N ATOM 1603 CA THR A 109 11.339 -4.296 -7.772 1.00 45.43 C ATOM 1604 C THR A 109 11.651 -2.969 -8.448 1.00 32.55 C ATOM 1605 O THR A 109 11.372 -2.786 -9.638 1.00 41.41 O ATOM 1606 CB THR A 109 12.425 -5.360 -8.075 1.00 45.11 C ATOM 1607 OG1 THR A 109 12.171 -6.538 -7.298 1.00 51.14 O ATOM 1608 CG2 THR A 109 13.835 -4.868 -7.785 1.00 12.20 C ATOM 0 HA THR A 109 11.325 -4.151 -6.692 1.00 45.43 H new ATOM 0 HB THR A 109 12.368 -5.576 -9.142 1.00 45.11 H new ATOM 0 HG1 THR A 109 11.206 -6.708 -7.267 1.00 51.14 H new ATOM 0 HG21 THR A 109 14.551 -5.657 -8.017 1.00 12.20 H new ATOM 0 HG22 THR A 109 14.048 -3.993 -8.399 1.00 12.20 H new ATOM 0 HG23 THR A 109 13.918 -4.601 -6.731 1.00 12.20 H new ATOM 1616 N PHE A 110 12.206 -2.043 -7.685 1.00 63.54 N ATOM 1617 CA PHE A 110 12.424 -0.698 -8.171 1.00 23.10 C ATOM 1618 C PHE A 110 13.798 -0.597 -8.832 1.00 63.51 C ATOM 1619 O PHE A 110 14.816 -0.386 -8.168 1.00 53.31 O ATOM 1620 CB PHE A 110 12.273 0.318 -7.027 1.00 11.34 C ATOM 1621 CG PHE A 110 10.921 0.309 -6.328 1.00 23.14 C ATOM 1622 CD1 PHE A 110 9.757 -0.081 -6.989 1.00 71.22 C ATOM 1623 CD2 PHE A 110 10.819 0.712 -5.007 1.00 64.13 C ATOM 1624 CE1 PHE A 110 8.535 -0.069 -6.342 1.00 60.10 C ATOM 1625 CE2 PHE A 110 9.599 0.724 -4.358 1.00 20.32 C ATOM 1626 CZ PHE A 110 8.457 0.334 -5.025 1.00 73.12 C ATOM 0 H PHE A 110 12.513 -2.202 -6.725 1.00 63.54 H new ATOM 0 HA PHE A 110 11.670 -0.463 -8.922 1.00 23.10 H new ATOM 0 HB2 PHE A 110 13.049 0.125 -6.286 1.00 11.34 H new ATOM 0 HB3 PHE A 110 12.453 1.317 -7.424 1.00 11.34 H new ATOM 0 HD1 PHE A 110 9.811 -0.397 -8.020 1.00 71.22 H new ATOM 0 HD2 PHE A 110 11.707 1.022 -4.476 1.00 64.13 H new ATOM 0 HE1 PHE A 110 7.642 -0.375 -6.867 1.00 60.10 H new ATOM 0 HE2 PHE A 110 9.540 1.039 -3.327 1.00 20.32 H new ATOM 0 HZ PHE A 110 7.504 0.344 -4.518 1.00 73.12 H new ATOM 1636 N PHE A 111 13.819 -0.834 -10.144 1.00 44.11 N ATOM 1637 CA PHE A 111 15.047 -0.736 -10.936 1.00 61.30 C ATOM 1638 C PHE A 111 15.215 0.674 -11.506 1.00 42.24 C ATOM 1639 O PHE A 111 16.334 1.166 -11.667 1.00 22.35 O ATOM 1640 CB PHE A 111 15.043 -1.732 -12.111 1.00 63.13 C ATOM 1641 CG PHE A 111 14.942 -3.190 -11.739 1.00 75.02 C ATOM 1642 CD1 PHE A 111 16.012 -3.858 -11.162 1.00 33.30 C ATOM 1643 CD2 PHE A 111 13.786 -3.904 -12.015 1.00 53.02 C ATOM 1644 CE1 PHE A 111 15.926 -5.206 -10.865 1.00 35.52 C ATOM 1645 CE2 PHE A 111 13.693 -5.249 -11.715 1.00 41.24 C ATOM 1646 CZ PHE A 111 14.764 -5.902 -11.143 1.00 40.24 C ATOM 0 H PHE A 111 12.995 -1.097 -10.684 1.00 44.11 H new ATOM 0 HA PHE A 111 15.873 -0.971 -10.265 1.00 61.30 H new ATOM 0 HB2 PHE A 111 14.208 -1.486 -12.768 1.00 63.13 H new ATOM 0 HB3 PHE A 111 15.956 -1.587 -12.688 1.00 63.13 H new ATOM 0 HD1 PHE A 111 16.922 -3.320 -10.942 1.00 33.30 H new ATOM 0 HD2 PHE A 111 12.946 -3.401 -12.471 1.00 53.02 H new ATOM 0 HE1 PHE A 111 16.766 -5.715 -10.416 1.00 35.52 H new ATOM 0 HE2 PHE A 111 12.782 -5.789 -11.928 1.00 41.24 H new ATOM 0 HZ PHE A 111 14.696 -6.955 -10.913 1.00 40.24 H new ATOM 1656 N ASN A 112 14.091 1.316 -11.799 1.00 11.13 N ATOM 1657 CA ASN A 112 14.087 2.605 -12.473 1.00 61.33 C ATOM 1658 C ASN A 112 13.457 3.649 -11.570 1.00 10.41 C ATOM 1659 O ASN A 112 12.318 3.479 -11.135 1.00 24.25 O ATOM 1660 CB ASN A 112 13.309 2.527 -13.797 1.00 23.13 C ATOM 1661 CG ASN A 112 13.964 1.651 -14.859 1.00 42.43 C ATOM 1662 OD1 ASN A 112 15.288 1.644 -14.909 1.00 23.34 O flip ATOM 1663 ND2 ASN A 112 13.277 1.010 -15.652 1.00 53.30 N flip ATOM 0 H ASN A 112 13.162 0.959 -11.577 1.00 11.13 H new ATOM 0 HA ASN A 112 15.117 2.884 -12.694 1.00 61.33 H new ATOM 0 HB2 ASN A 112 12.308 2.146 -13.595 1.00 23.13 H new ATOM 0 HB3 ASN A 112 13.192 3.535 -14.196 1.00 23.13 H new ATOM 0 HD21 ASN A 112 12.260 1.038 -15.584 1.00 53.30 H new ATOM 0 HD22 ASN A 112 13.724 0.450 -16.378 1.00 53.30 H new ATOM 1670 N GLU A 113 14.206 4.722 -11.305 1.00 50.12 N ATOM 1671 CA GLU A 113 13.812 5.760 -10.335 1.00 64.55 C ATOM 1672 C GLU A 113 12.574 6.537 -10.784 1.00 73.43 C ATOM 1673 O GLU A 113 12.320 6.687 -11.985 1.00 33.22 O ATOM 1674 CB GLU A 113 14.955 6.759 -10.082 1.00 63.21 C ATOM 1675 CG GLU A 113 16.266 6.132 -9.634 1.00 42.44 C ATOM 1676 CD GLU A 113 17.208 5.885 -10.797 1.00 74.40 C ATOM 1677 OE1 GLU A 113 17.850 6.850 -11.253 1.00 21.31 O ATOM 1678 OE2 GLU A 113 17.294 4.736 -11.268 1.00 4.43 O ATOM 0 H GLU A 113 15.104 4.901 -11.754 1.00 50.12 H new ATOM 0 HA GLU A 113 13.577 5.229 -9.413 1.00 64.55 H new ATOM 0 HB2 GLU A 113 15.133 7.324 -10.997 1.00 63.21 H new ATOM 0 HB3 GLU A 113 14.633 7.473 -9.324 1.00 63.21 H new ATOM 0 HG2 GLU A 113 16.750 6.785 -8.908 1.00 42.44 H new ATOM 0 HG3 GLU A 113 16.062 5.189 -9.127 1.00 42.44 H new ATOM 1685 N GLY A 114 11.827 7.035 -9.806 1.00 70.31 N ATOM 1686 CA GLY A 114 10.622 7.789 -10.088 1.00 62.34 C ATOM 1687 C GLY A 114 9.585 7.676 -8.992 1.00 13.45 C ATOM 1688 O GLY A 114 9.872 7.176 -7.900 1.00 22.42 O ATOM 0 H GLY A 114 12.038 6.928 -8.814 1.00 70.31 H new ATOM 0 HA2 GLY A 114 10.881 8.838 -10.229 1.00 62.34 H new ATOM 0 HA3 GLY A 114 10.191 7.438 -11.026 1.00 62.34 H new ATOM 1692 N GLU A 115 8.379 8.150 -9.293 1.00 24.32 N ATOM 1693 CA GLU A 115 7.263 8.124 -8.359 1.00 63.14 C ATOM 1694 C GLU A 115 6.430 6.856 -8.546 1.00 61.23 C ATOM 1695 O GLU A 115 5.965 6.556 -9.647 1.00 64.14 O ATOM 1696 CB GLU A 115 6.392 9.365 -8.578 1.00 1.24 C ATOM 1697 CG GLU A 115 5.182 9.460 -7.653 1.00 42.42 C ATOM 1698 CD GLU A 115 4.222 10.561 -8.053 1.00 24.55 C ATOM 1699 OE1 GLU A 115 4.458 11.728 -7.686 1.00 54.15 O ATOM 1700 OE2 GLU A 115 3.228 10.265 -8.745 1.00 44.15 O ATOM 0 H GLU A 115 8.150 8.564 -10.196 1.00 24.32 H new ATOM 0 HA GLU A 115 7.652 8.126 -7.341 1.00 63.14 H new ATOM 0 HB2 GLU A 115 7.008 10.254 -8.442 1.00 1.24 H new ATOM 0 HB3 GLU A 115 6.045 9.372 -9.611 1.00 1.24 H new ATOM 0 HG2 GLU A 115 4.654 8.506 -7.654 1.00 42.42 H new ATOM 0 HG3 GLU A 115 5.523 9.635 -6.633 1.00 42.42 H new ATOM 1707 N TYR A 116 6.277 6.109 -7.466 1.00 20.13 N ATOM 1708 CA TYR A 116 5.410 4.938 -7.439 1.00 4.05 C ATOM 1709 C TYR A 116 4.275 5.221 -6.475 1.00 12.41 C ATOM 1710 O TYR A 116 4.478 5.897 -5.466 1.00 25.11 O ATOM 1711 CB TYR A 116 6.158 3.689 -6.950 1.00 55.12 C ATOM 1712 CG TYR A 116 7.611 3.603 -7.366 1.00 64.52 C ATOM 1713 CD1 TYR A 116 7.983 3.097 -8.599 1.00 60.50 C ATOM 1714 CD2 TYR A 116 8.609 4.021 -6.503 1.00 1.43 C ATOM 1715 CE1 TYR A 116 9.312 3.010 -8.959 1.00 42.44 C ATOM 1716 CE2 TYR A 116 9.934 3.943 -6.854 1.00 43.23 C ATOM 1717 CZ TYR A 116 10.284 3.437 -8.086 1.00 54.14 C ATOM 1718 OH TYR A 116 11.609 3.344 -8.438 1.00 51.11 O ATOM 0 H TYR A 116 6.750 6.295 -6.581 1.00 20.13 H new ATOM 0 HA TYR A 116 5.050 4.747 -8.450 1.00 4.05 H new ATOM 0 HB2 TYR A 116 6.106 3.657 -5.862 1.00 55.12 H new ATOM 0 HB3 TYR A 116 5.638 2.806 -7.320 1.00 55.12 H new ATOM 0 HD1 TYR A 116 7.222 2.765 -9.290 1.00 60.50 H new ATOM 0 HD2 TYR A 116 8.340 4.416 -5.535 1.00 1.43 H new ATOM 0 HE1 TYR A 116 9.587 2.608 -9.923 1.00 42.44 H new ATOM 0 HE2 TYR A 116 10.698 4.277 -6.167 1.00 43.23 H new ATOM 0 HH TYR A 116 11.694 3.410 -9.412 1.00 51.11 H new ATOM 1728 N ILE A 117 3.081 4.742 -6.775 1.00 51.34 N ATOM 1729 CA ILE A 117 1.971 4.924 -5.853 1.00 45.20 C ATOM 1730 C ILE A 117 1.475 3.572 -5.359 1.00 71.53 C ATOM 1731 O ILE A 117 0.899 2.784 -6.119 1.00 2.14 O ATOM 1732 CB ILE A 117 0.783 5.722 -6.453 1.00 12.41 C ATOM 1733 CG1 ILE A 117 1.268 6.975 -7.197 1.00 12.41 C ATOM 1734 CG2 ILE A 117 -0.162 6.123 -5.323 1.00 34.11 C ATOM 1735 CD1 ILE A 117 0.183 7.693 -7.981 1.00 41.03 C ATOM 0 H ILE A 117 2.856 4.234 -7.631 1.00 51.34 H new ATOM 0 HA ILE A 117 2.361 5.517 -5.026 1.00 45.20 H new ATOM 0 HB ILE A 117 0.265 5.089 -7.173 1.00 12.41 H new ATOM 0 HG12 ILE A 117 1.698 7.669 -6.475 1.00 12.41 H new ATOM 0 HG13 ILE A 117 2.067 6.691 -7.881 1.00 12.41 H new ATOM 0 HG21 ILE A 117 -1.001 6.685 -5.733 1.00 34.11 H new ATOM 0 HG22 ILE A 117 -0.533 5.228 -4.824 1.00 34.11 H new ATOM 0 HG23 ILE A 117 0.373 6.743 -4.604 1.00 34.11 H new ATOM 0 HD11 ILE A 117 0.609 8.566 -8.476 1.00 41.03 H new ATOM 0 HD12 ILE A 117 -0.232 7.018 -8.729 1.00 41.03 H new ATOM 0 HD13 ILE A 117 -0.607 8.011 -7.301 1.00 41.03 H new ATOM 1747 N VAL A 118 1.732 3.309 -4.087 1.00 62.34 N ATOM 1748 CA VAL A 118 1.254 2.098 -3.441 1.00 23.54 C ATOM 1749 C VAL A 118 0.051 2.444 -2.572 1.00 52.21 C ATOM 1750 O VAL A 118 0.172 3.187 -1.594 1.00 51.34 O ATOM 1751 CB VAL A 118 2.353 1.413 -2.578 1.00 62.13 C ATOM 1752 CG1 VAL A 118 1.851 0.105 -1.976 1.00 70.23 C ATOM 1753 CG2 VAL A 118 3.612 1.159 -3.394 1.00 52.22 C ATOM 0 H VAL A 118 2.273 3.923 -3.479 1.00 62.34 H new ATOM 0 HA VAL A 118 0.973 1.389 -4.219 1.00 23.54 H new ATOM 0 HB VAL A 118 2.596 2.096 -1.764 1.00 62.13 H new ATOM 0 HG11 VAL A 118 2.642 -0.348 -1.379 1.00 70.23 H new ATOM 0 HG12 VAL A 118 0.987 0.304 -1.342 1.00 70.23 H new ATOM 0 HG13 VAL A 118 1.564 -0.577 -2.776 1.00 70.23 H new ATOM 0 HG21 VAL A 118 4.362 0.680 -2.765 1.00 52.22 H new ATOM 0 HG22 VAL A 118 3.375 0.509 -4.236 1.00 52.22 H new ATOM 0 HG23 VAL A 118 4.002 2.107 -3.766 1.00 52.22 H new ATOM 1763 N SER A 119 -1.104 1.939 -2.964 1.00 54.14 N ATOM 1764 CA SER A 119 -2.315 2.118 -2.197 1.00 43.55 C ATOM 1765 C SER A 119 -2.764 0.776 -1.627 1.00 1.14 C ATOM 1766 O SER A 119 -2.711 -0.255 -2.297 1.00 11.33 O ATOM 1767 CB SER A 119 -3.408 2.739 -3.074 1.00 61.44 C ATOM 1768 OG SER A 119 -4.567 3.072 -2.325 1.00 12.22 O ATOM 0 H SER A 119 -1.225 1.396 -3.819 1.00 54.14 H new ATOM 0 HA SER A 119 -2.123 2.798 -1.367 1.00 43.55 H new ATOM 0 HB2 SER A 119 -3.019 3.635 -3.557 1.00 61.44 H new ATOM 0 HB3 SER A 119 -3.677 2.041 -3.867 1.00 61.44 H new ATOM 0 HG SER A 119 -5.239 3.466 -2.920 1.00 12.22 H new ATOM 1774 N LEU A 120 -3.172 0.807 -0.376 1.00 53.32 N ATOM 1775 CA LEU A 120 -3.744 -0.339 0.298 1.00 51.13 C ATOM 1776 C LEU A 120 -5.168 0.034 0.689 1.00 50.42 C ATOM 1777 O LEU A 120 -5.379 0.980 1.443 1.00 42.11 O ATOM 1778 CB LEU A 120 -2.854 -0.718 1.518 1.00 31.41 C ATOM 1779 CG LEU A 120 -3.238 -1.943 2.397 1.00 11.02 C ATOM 1780 CD1 LEU A 120 -4.261 -1.580 3.451 1.00 73.54 C ATOM 1781 CD2 LEU A 120 -3.733 -3.121 1.560 1.00 4.52 C ATOM 0 H LEU A 120 -3.115 1.640 0.209 1.00 53.32 H new ATOM 0 HA LEU A 120 -3.779 -1.221 -0.341 1.00 51.13 H new ATOM 0 HB2 LEU A 120 -1.844 -0.888 1.145 1.00 31.41 H new ATOM 0 HB3 LEU A 120 -2.810 0.152 2.173 1.00 31.41 H new ATOM 0 HG LEU A 120 -2.324 -2.254 2.902 1.00 11.02 H new ATOM 0 HD11 LEU A 120 -4.502 -2.463 4.043 1.00 73.54 H new ATOM 0 HD12 LEU A 120 -3.854 -0.806 4.102 1.00 73.54 H new ATOM 0 HD13 LEU A 120 -5.165 -1.209 2.968 1.00 73.54 H new ATOM 0 HD21 LEU A 120 -3.989 -3.952 2.217 1.00 4.52 H new ATOM 0 HD22 LEU A 120 -4.615 -2.820 0.995 1.00 4.52 H new ATOM 0 HD23 LEU A 120 -2.949 -3.432 0.870 1.00 4.52 H new ATOM 1793 N ILE A 121 -6.136 -0.699 0.168 1.00 60.42 N ATOM 1794 CA ILE A 121 -7.515 -0.504 0.558 1.00 21.01 C ATOM 1795 C ILE A 121 -8.048 -1.801 1.150 1.00 60.54 C ATOM 1796 O ILE A 121 -7.928 -2.871 0.565 1.00 44.53 O ATOM 1797 CB ILE A 121 -8.422 0.028 -0.605 1.00 11.23 C ATOM 1798 CG1 ILE A 121 -9.904 0.060 -0.167 1.00 72.45 C ATOM 1799 CG2 ILE A 121 -8.242 -0.779 -1.893 1.00 73.50 C ATOM 1800 CD1 ILE A 121 -10.821 0.835 -1.088 1.00 23.51 C ATOM 0 H ILE A 121 -5.990 -1.433 -0.525 1.00 60.42 H new ATOM 0 HA ILE A 121 -7.545 0.282 1.313 1.00 21.01 H new ATOM 0 HB ILE A 121 -8.105 1.047 -0.826 1.00 11.23 H new ATOM 0 HG12 ILE A 121 -10.268 -0.965 -0.092 1.00 72.45 H new ATOM 0 HG13 ILE A 121 -9.964 0.493 0.831 1.00 72.45 H new ATOM 0 HG21 ILE A 121 -8.890 -0.374 -2.670 1.00 73.50 H new ATOM 0 HG22 ILE A 121 -7.204 -0.718 -2.219 1.00 73.50 H new ATOM 0 HG23 ILE A 121 -8.504 -1.821 -1.709 1.00 73.50 H new ATOM 0 HD11 ILE A 121 -11.839 0.802 -0.700 1.00 23.51 H new ATOM 0 HD12 ILE A 121 -10.488 1.871 -1.145 1.00 23.51 H new ATOM 0 HD13 ILE A 121 -10.797 0.391 -2.083 1.00 23.51 H new ATOM 1812 N VAL A 122 -8.590 -1.695 2.344 1.00 71.31 N ATOM 1813 CA VAL A 122 -9.164 -2.841 3.024 1.00 44.12 C ATOM 1814 C VAL A 122 -10.650 -2.639 3.216 1.00 14.20 C ATOM 1815 O VAL A 122 -11.139 -1.510 3.252 1.00 21.34 O ATOM 1816 CB VAL A 122 -8.484 -3.151 4.380 1.00 30.21 C ATOM 1817 CG1 VAL A 122 -7.131 -3.796 4.149 1.00 60.55 C ATOM 1818 CG2 VAL A 122 -8.328 -1.901 5.237 1.00 1.42 C ATOM 0 H VAL A 122 -8.646 -0.822 2.868 1.00 71.31 H new ATOM 0 HA VAL A 122 -8.987 -3.706 2.385 1.00 44.12 H new ATOM 0 HB VAL A 122 -9.129 -3.843 4.921 1.00 30.21 H new ATOM 0 HG11 VAL A 122 -6.661 -4.010 5.109 1.00 60.55 H new ATOM 0 HG12 VAL A 122 -7.261 -4.725 3.594 1.00 60.55 H new ATOM 0 HG13 VAL A 122 -6.497 -3.117 3.578 1.00 60.55 H new ATOM 0 HG21 VAL A 122 -7.847 -2.163 6.179 1.00 1.42 H new ATOM 0 HG22 VAL A 122 -7.716 -1.171 4.708 1.00 1.42 H new ATOM 0 HG23 VAL A 122 -9.310 -1.473 5.438 1.00 1.42 H new ATOM 1828 N SER A 123 -11.367 -3.735 3.337 1.00 40.41 N ATOM 1829 CA SER A 123 -12.808 -3.686 3.392 1.00 54.53 C ATOM 1830 C SER A 123 -13.300 -4.473 4.585 1.00 63.13 C ATOM 1831 O SER A 123 -12.663 -5.431 5.001 1.00 72.13 O ATOM 1832 CB SER A 123 -13.408 -4.256 2.105 1.00 53.42 C ATOM 1833 OG SER A 123 -12.846 -3.629 0.964 1.00 44.41 O ATOM 0 H SER A 123 -10.972 -4.673 3.399 1.00 40.41 H new ATOM 0 HA SER A 123 -13.123 -2.647 3.493 1.00 54.53 H new ATOM 0 HB2 SER A 123 -13.229 -5.330 2.060 1.00 53.42 H new ATOM 0 HB3 SER A 123 -14.489 -4.113 2.108 1.00 53.42 H new ATOM 0 HG SER A 123 -13.243 -4.010 0.153 1.00 44.41 H new ATOM 1839 N ASN A 124 -14.408 -4.032 5.130 1.00 74.42 N ATOM 1840 CA ASN A 124 -15.115 -4.722 6.196 1.00 12.24 C ATOM 1841 C ASN A 124 -16.596 -4.714 5.804 1.00 10.32 C ATOM 1842 O ASN A 124 -16.951 -4.109 4.787 1.00 30.30 O ATOM 1843 CB ASN A 124 -14.845 -4.005 7.548 1.00 72.30 C ATOM 1844 CG ASN A 124 -15.439 -4.697 8.772 1.00 3.41 C ATOM 1845 OD1 ASN A 124 -16.547 -4.373 9.199 1.00 53.42 O ATOM 1846 ND2 ASN A 124 -14.716 -5.659 9.326 1.00 71.30 N ATOM 0 H ASN A 124 -14.858 -3.163 4.842 1.00 74.42 H new ATOM 0 HA ASN A 124 -14.780 -5.751 6.326 1.00 12.24 H new ATOM 0 HB2 ASN A 124 -13.768 -3.916 7.686 1.00 72.30 H new ATOM 0 HB3 ASN A 124 -15.244 -2.992 7.492 1.00 72.30 H new ATOM 0 HD21 ASN A 124 -15.073 -6.162 10.138 1.00 71.30 H new ATOM 0 HD22 ASN A 124 -13.802 -5.896 8.941 1.00 71.30 H new ATOM 1853 N GLU A 125 -17.460 -5.356 6.581 1.00 44.20 N ATOM 1854 CA GLU A 125 -18.890 -5.397 6.285 1.00 44.40 C ATOM 1855 C GLU A 125 -19.600 -4.103 6.739 1.00 23.33 C ATOM 1856 O GLU A 125 -20.766 -3.866 6.399 1.00 21.35 O ATOM 1857 CB GLU A 125 -19.510 -6.641 6.936 1.00 64.34 C ATOM 1858 CG GLU A 125 -19.310 -6.737 8.451 1.00 55.32 C ATOM 1859 CD GLU A 125 -19.718 -8.084 9.005 1.00 12.32 C ATOM 1860 OE1 GLU A 125 -20.927 -8.325 9.167 1.00 63.13 O ATOM 1861 OE2 GLU A 125 -18.826 -8.909 9.281 1.00 72.34 O ATOM 0 H GLU A 125 -17.194 -5.859 7.427 1.00 44.20 H new ATOM 0 HA GLU A 125 -19.025 -5.462 5.205 1.00 44.40 H new ATOM 0 HB2 GLU A 125 -20.579 -6.651 6.723 1.00 64.34 H new ATOM 0 HB3 GLU A 125 -19.083 -7.529 6.470 1.00 64.34 H new ATOM 0 HG2 GLU A 125 -18.262 -6.552 8.688 1.00 55.32 H new ATOM 0 HG3 GLU A 125 -19.890 -5.955 8.941 1.00 55.32 H new ATOM 1868 N ASN A 126 -18.885 -3.275 7.508 1.00 43.22 N ATOM 1869 CA ASN A 126 -19.369 -1.965 7.927 1.00 31.23 C ATOM 1870 C ASN A 126 -18.956 -0.893 6.921 1.00 21.45 C ATOM 1871 O ASN A 126 -19.804 -0.223 6.333 1.00 44.41 O ATOM 1872 CB ASN A 126 -18.803 -1.620 9.317 1.00 12.12 C ATOM 1873 CG ASN A 126 -19.304 -0.295 9.877 1.00 73.23 C ATOM 1874 OD1 ASN A 126 -18.480 0.332 10.699 1.00 32.52 O flip ATOM 1875 ND2 ASN A 126 -20.413 0.149 9.590 1.00 63.01 N flip ATOM 0 H ASN A 126 -17.953 -3.499 7.856 1.00 43.22 H new ATOM 0 HA ASN A 126 -20.457 -1.996 7.976 1.00 31.23 H new ATOM 0 HB2 ASN A 126 -19.063 -2.418 10.012 1.00 12.12 H new ATOM 0 HB3 ASN A 126 -17.715 -1.590 9.258 1.00 12.12 H new ATOM 0 HD21 ASN A 126 -21.019 -0.366 8.951 1.00 63.01 H new ATOM 0 HD22 ASN A 126 -20.728 1.033 9.990 1.00 63.01 H new ATOM 1882 N ASP A 127 -17.650 -0.758 6.717 1.00 24.01 N ATOM 1883 CA ASP A 127 -17.103 0.329 5.917 1.00 64.41 C ATOM 1884 C ASP A 127 -15.839 -0.148 5.192 1.00 71.54 C ATOM 1885 O ASP A 127 -15.366 -1.251 5.449 1.00 23.24 O ATOM 1886 CB ASP A 127 -16.810 1.509 6.867 1.00 52.31 C ATOM 1887 CG ASP A 127 -16.451 2.812 6.177 1.00 73.22 C ATOM 1888 OD1 ASP A 127 -17.268 3.312 5.387 1.00 55.12 O ATOM 1889 OD2 ASP A 127 -15.359 3.348 6.446 1.00 71.25 O ATOM 0 H ASP A 127 -16.948 -1.393 7.098 1.00 24.01 H new ATOM 0 HA ASP A 127 -17.809 0.653 5.152 1.00 64.41 H new ATOM 0 HB2 ASP A 127 -17.685 1.677 7.495 1.00 52.31 H new ATOM 0 HB3 ASP A 127 -15.991 1.228 7.530 1.00 52.31 H new ATOM 1894 N SER A 128 -15.314 0.654 4.275 1.00 43.05 N ATOM 1895 CA SER A 128 -14.028 0.375 3.644 1.00 44.22 C ATOM 1896 C SER A 128 -13.125 1.606 3.749 1.00 60.11 C ATOM 1897 O SER A 128 -13.605 2.738 3.675 1.00 13.23 O ATOM 1898 CB SER A 128 -14.217 -0.041 2.178 1.00 63.15 C ATOM 1899 OG SER A 128 -15.012 0.900 1.474 1.00 74.44 O ATOM 0 H SER A 128 -15.762 1.510 3.949 1.00 43.05 H new ATOM 0 HA SER A 128 -13.553 -0.456 4.165 1.00 44.22 H new ATOM 0 HB2 SER A 128 -13.244 -0.132 1.695 1.00 63.15 H new ATOM 0 HB3 SER A 128 -14.688 -1.023 2.134 1.00 63.15 H new ATOM 0 HG SER A 128 -15.114 0.611 0.543 1.00 74.44 H new ATOM 1905 N ASP A 129 -11.829 1.384 3.928 1.00 54.55 N ATOM 1906 CA ASP A 129 -10.881 2.478 4.152 1.00 42.34 C ATOM 1907 C ASP A 129 -9.604 2.235 3.353 1.00 23.20 C ATOM 1908 O ASP A 129 -9.151 1.091 3.240 1.00 4.13 O ATOM 1909 CB ASP A 129 -10.574 2.581 5.656 1.00 73.13 C ATOM 1910 CG ASP A 129 -9.662 3.736 6.026 1.00 10.53 C ATOM 1911 OD1 ASP A 129 -10.122 4.896 6.004 1.00 62.22 O ATOM 1912 OD2 ASP A 129 -8.486 3.485 6.366 1.00 70.52 O ATOM 0 H ASP A 129 -11.406 0.456 3.923 1.00 54.55 H new ATOM 0 HA ASP A 129 -11.317 3.418 3.815 1.00 42.34 H new ATOM 0 HB2 ASP A 129 -11.512 2.684 6.201 1.00 73.13 H new ATOM 0 HB3 ASP A 129 -10.115 1.649 5.986 1.00 73.13 H new ATOM 1917 N SER A 130 -9.035 3.301 2.789 1.00 31.40 N ATOM 1918 CA SER A 130 -7.798 3.193 2.030 1.00 75.21 C ATOM 1919 C SER A 130 -6.735 4.161 2.548 1.00 15.12 C ATOM 1920 O SER A 130 -7.042 5.209 3.124 1.00 14.21 O ATOM 1921 CB SER A 130 -8.040 3.448 0.538 1.00 70.33 C ATOM 1922 OG SER A 130 -8.501 4.772 0.291 1.00 2.21 O ATOM 0 H SER A 130 -9.414 4.246 2.846 1.00 31.40 H new ATOM 0 HA SER A 130 -7.434 2.174 2.162 1.00 75.21 H new ATOM 0 HB2 SER A 130 -7.115 3.277 -0.014 1.00 70.33 H new ATOM 0 HB3 SER A 130 -8.772 2.733 0.162 1.00 70.33 H new ATOM 0 HG SER A 130 -8.642 4.895 -0.671 1.00 2.21 H new ATOM 1928 N ALA A 131 -5.486 3.771 2.347 1.00 62.15 N ATOM 1929 CA ALA A 131 -4.333 4.611 2.614 1.00 51.15 C ATOM 1930 C ALA A 131 -3.374 4.503 1.445 1.00 33.03 C ATOM 1931 O ALA A 131 -3.129 3.408 0.940 1.00 33.33 O ATOM 1932 CB ALA A 131 -3.644 4.202 3.910 1.00 31.15 C ATOM 0 H ALA A 131 -5.243 2.848 1.988 1.00 62.15 H new ATOM 0 HA ALA A 131 -4.660 5.644 2.732 1.00 51.15 H new ATOM 0 HB1 ALA A 131 -2.784 4.848 4.084 1.00 31.15 H new ATOM 0 HB2 ALA A 131 -4.344 4.297 4.740 1.00 31.15 H new ATOM 0 HB3 ALA A 131 -3.311 3.167 3.834 1.00 31.15 H new ATOM 1938 N SER A 132 -2.861 5.630 0.996 1.00 72.13 N ATOM 1939 CA SER A 132 -1.963 5.652 -0.138 1.00 65.15 C ATOM 1940 C SER A 132 -0.747 6.504 0.185 1.00 35.15 C ATOM 1941 O SER A 132 -0.857 7.510 0.889 1.00 41.14 O ATOM 1942 CB SER A 132 -2.704 6.191 -1.367 1.00 0.10 C ATOM 1943 OG SER A 132 -1.912 6.104 -2.535 1.00 11.32 O ATOM 0 H SER A 132 -3.052 6.546 1.402 1.00 72.13 H new ATOM 0 HA SER A 132 -1.620 4.641 -0.358 1.00 65.15 H new ATOM 0 HB2 SER A 132 -3.627 5.629 -1.511 1.00 0.10 H new ATOM 0 HB3 SER A 132 -2.986 7.230 -1.195 1.00 0.10 H new ATOM 0 HG SER A 132 -2.416 6.455 -3.299 1.00 11.32 H new ATOM 1949 N VAL A 133 0.409 6.103 -0.326 1.00 64.20 N ATOM 1950 CA VAL A 133 1.641 6.820 -0.061 1.00 13.53 C ATOM 1951 C VAL A 133 2.450 6.983 -1.354 1.00 64.54 C ATOM 1952 O VAL A 133 2.480 6.089 -2.214 1.00 23.41 O ATOM 1953 CB VAL A 133 2.484 6.132 1.066 1.00 12.20 C ATOM 1954 CG1 VAL A 133 2.950 4.738 0.677 1.00 12.05 C ATOM 1955 CG2 VAL A 133 3.674 6.987 1.492 1.00 22.33 C ATOM 0 H VAL A 133 0.516 5.285 -0.926 1.00 64.20 H new ATOM 0 HA VAL A 133 1.382 7.813 0.307 1.00 13.53 H new ATOM 0 HB VAL A 133 1.813 6.031 1.919 1.00 12.20 H new ATOM 0 HG11 VAL A 133 3.529 4.307 1.493 1.00 12.05 H new ATOM 0 HG12 VAL A 133 2.084 4.108 0.475 1.00 12.05 H new ATOM 0 HG13 VAL A 133 3.571 4.798 -0.217 1.00 12.05 H new ATOM 0 HG21 VAL A 133 4.230 6.472 2.275 1.00 22.33 H new ATOM 0 HG22 VAL A 133 4.326 7.156 0.635 1.00 22.33 H new ATOM 0 HG23 VAL A 133 3.317 7.945 1.871 1.00 22.33 H new ATOM 1965 N THR A 134 3.047 8.158 -1.501 1.00 55.33 N ATOM 1966 CA THR A 134 3.962 8.440 -2.585 1.00 51.43 C ATOM 1967 C THR A 134 5.332 7.837 -2.268 1.00 44.34 C ATOM 1968 O THR A 134 5.962 8.191 -1.270 1.00 24.34 O ATOM 1969 CB THR A 134 4.094 9.967 -2.783 1.00 3.42 C ATOM 1970 OG1 THR A 134 2.789 10.564 -2.839 1.00 3.42 O ATOM 1971 CG2 THR A 134 4.848 10.304 -4.060 1.00 62.32 C ATOM 0 H THR A 134 2.906 8.943 -0.865 1.00 55.33 H new ATOM 0 HA THR A 134 3.576 7.998 -3.503 1.00 51.43 H new ATOM 0 HB THR A 134 4.656 10.362 -1.937 1.00 3.42 H new ATOM 0 HG1 THR A 134 2.877 11.532 -2.963 1.00 3.42 H new ATOM 0 HG21 THR A 134 4.921 11.387 -4.165 1.00 62.32 H new ATOM 0 HG22 THR A 134 5.849 9.876 -4.015 1.00 62.32 H new ATOM 0 HG23 THR A 134 4.315 9.892 -4.917 1.00 62.32 H new ATOM 1979 N ILE A 135 5.758 6.892 -3.088 1.00 60.12 N ATOM 1980 CA ILE A 135 7.089 6.314 -2.966 1.00 1.11 C ATOM 1981 C ILE A 135 8.011 7.077 -3.901 1.00 5.22 C ATOM 1982 O ILE A 135 7.760 7.156 -5.104 1.00 23.34 O ATOM 1983 CB ILE A 135 7.136 4.801 -3.330 1.00 1.52 C ATOM 1984 CG1 ILE A 135 5.946 4.026 -2.729 1.00 73.31 C ATOM 1985 CG2 ILE A 135 8.462 4.179 -2.870 1.00 63.41 C ATOM 1986 CD1 ILE A 135 5.898 3.991 -1.211 1.00 24.21 C ATOM 0 H ILE A 135 5.200 6.506 -3.850 1.00 60.12 H new ATOM 0 HA ILE A 135 7.398 6.395 -1.924 1.00 1.11 H new ATOM 0 HB ILE A 135 7.063 4.726 -4.415 1.00 1.52 H new ATOM 0 HG12 ILE A 135 5.021 4.471 -3.096 1.00 73.31 H new ATOM 0 HG13 ILE A 135 5.976 3.001 -3.099 1.00 73.31 H new ATOM 0 HG21 ILE A 135 8.478 3.121 -3.132 1.00 63.41 H new ATOM 0 HG22 ILE A 135 9.292 4.687 -3.361 1.00 63.41 H new ATOM 0 HG23 ILE A 135 8.559 4.286 -1.790 1.00 63.41 H new ATOM 0 HD11 ILE A 135 5.026 3.423 -0.888 1.00 24.21 H new ATOM 0 HD12 ILE A 135 6.802 3.516 -0.829 1.00 24.21 H new ATOM 0 HD13 ILE A 135 5.832 5.008 -0.826 1.00 24.21 H new ATOM 1998 N ARG A 136 9.062 7.655 -3.353 1.00 44.43 N ATOM 1999 CA ARG A 136 9.947 8.493 -4.134 1.00 33.21 C ATOM 2000 C ARG A 136 11.328 7.881 -4.214 1.00 44.45 C ATOM 2001 O ARG A 136 12.022 7.751 -3.207 1.00 71.44 O ATOM 2002 CB ARG A 136 10.010 9.899 -3.542 1.00 60.41 C ATOM 2003 CG ARG A 136 8.773 10.728 -3.843 1.00 63.24 C ATOM 2004 CD ARG A 136 8.310 11.501 -2.621 1.00 4.54 C ATOM 2005 NE ARG A 136 7.906 10.601 -1.532 1.00 52.03 N ATOM 2006 CZ ARG A 136 7.668 10.987 -0.276 1.00 54.02 C ATOM 2007 NH1 ARG A 136 7.755 12.268 0.065 1.00 12.42 N ATOM 2008 NH2 ARG A 136 7.343 10.078 0.637 1.00 34.12 N ATOM 0 H ARG A 136 9.323 7.559 -2.372 1.00 44.43 H new ATOM 0 HA ARG A 136 9.550 8.566 -5.147 1.00 33.21 H new ATOM 0 HB2 ARG A 136 10.138 9.827 -2.462 1.00 60.41 H new ATOM 0 HB3 ARG A 136 10.888 10.413 -3.933 1.00 60.41 H new ATOM 0 HG2 ARG A 136 8.988 11.423 -4.654 1.00 63.24 H new ATOM 0 HG3 ARG A 136 7.971 10.075 -4.187 1.00 63.24 H new ATOM 0 HD2 ARG A 136 9.113 12.152 -2.276 1.00 4.54 H new ATOM 0 HD3 ARG A 136 7.472 12.144 -2.892 1.00 4.54 H new ATOM 0 HE ARG A 136 7.800 9.610 -1.751 1.00 52.03 H new ATOM 0 HH11 ARG A 136 8.005 12.966 -0.635 1.00 12.42 H new ATOM 0 HH12 ARG A 136 7.571 12.553 1.027 1.00 12.42 H new ATOM 0 HH21 ARG A 136 7.277 9.094 0.376 1.00 34.12 H new ATOM 0 HH22 ARG A 136 7.160 10.364 1.599 1.00 34.12 H new ATOM 2022 N ALA A 137 11.700 7.486 -5.419 1.00 0.55 N ATOM 2023 CA ALA A 137 13.015 6.950 -5.673 1.00 13.42 C ATOM 2024 C ALA A 137 13.887 8.029 -6.269 1.00 2.55 C ATOM 2025 O ALA A 137 13.603 8.556 -7.349 1.00 44.40 O ATOM 2026 CB ALA A 137 12.955 5.753 -6.589 1.00 44.30 C ATOM 0 H ALA A 137 11.098 7.530 -6.242 1.00 0.55 H new ATOM 0 HA ALA A 137 13.443 6.615 -4.728 1.00 13.42 H new ATOM 0 HB1 ALA A 137 13.963 5.374 -6.759 1.00 44.30 H new ATOM 0 HB2 ALA A 137 12.347 4.973 -6.130 1.00 44.30 H new ATOM 0 HB3 ALA A 137 12.512 6.045 -7.541 1.00 44.30 H new ATOM 2032 N LEU A 138 14.924 8.363 -5.538 1.00 53.34 N ATOM 2033 CA LEU A 138 15.825 9.431 -5.902 1.00 32.43 C ATOM 2034 C LEU A 138 16.893 8.914 -6.841 1.00 35.40 C ATOM 2035 O LEU A 138 17.367 7.779 -6.699 1.00 33.34 O ATOM 2036 CB LEU A 138 16.441 10.045 -4.641 1.00 15.21 C ATOM 2037 CG LEU A 138 15.433 10.647 -3.649 1.00 62.53 C ATOM 2038 CD1 LEU A 138 16.153 11.199 -2.433 1.00 65.23 C ATOM 2039 CD2 LEU A 138 14.602 11.736 -4.316 1.00 53.22 C ATOM 0 H LEU A 138 15.169 7.896 -4.665 1.00 53.34 H new ATOM 0 HA LEU A 138 15.270 10.211 -6.423 1.00 32.43 H new ATOM 0 HB2 LEU A 138 17.019 9.277 -4.127 1.00 15.21 H new ATOM 0 HB3 LEU A 138 17.142 10.824 -4.940 1.00 15.21 H new ATOM 0 HG LEU A 138 14.758 9.855 -3.324 1.00 62.53 H new ATOM 0 HD11 LEU A 138 15.425 11.622 -1.740 1.00 65.23 H new ATOM 0 HD12 LEU A 138 16.701 10.396 -1.939 1.00 65.23 H new ATOM 0 HD13 LEU A 138 16.851 11.976 -2.745 1.00 65.23 H new ATOM 0 HD21 LEU A 138 13.896 12.148 -3.595 1.00 53.22 H new ATOM 0 HD22 LEU A 138 15.260 12.529 -4.673 1.00 53.22 H new ATOM 0 HD23 LEU A 138 14.055 11.312 -5.158 1.00 53.22 H new